Geometry & MOs

Info

ID:	44993
PubChem CID:	10507063
Reduced:	ClON2C15H20 (2)
Stoich.:	ABC2D15E20 (2)
Weight, g/mol:	559.21007
ΔH_f, kcal/mol:	-85.5
Dipole, Da:	6.87
IP(EA), eV:	-9.3(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2R,4R)-1-[5-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]thiophene-2-carbonyl]azetidine-2,4-dicarboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]2CN(CC[C@@H]2C3=CC=C(C=C3)Cl)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]2CN(CC[C@@H]2C3=CC=C(C=C3)Cl)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):