Geometry & MOs

Info

ID:	427557
PubChem CID:	135159859
Reduced:	ClIS3O4N5C22H23 (1)
Stoich.:	ABC3D4E5F22G23 (1)
Weight, g/mol:	543.122181
ΔH_f, kcal/mol:	-25.32
Dipole, Da:	4.69
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,6S)-6-(propan-2-ylsulfamoylamino)-1-(6H-1,3-thiazin-2-yl)-3-(2,3,4-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

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

CCNC(=O)C1=C2C[C@@H](CN2C(=N[C@H]1C3=C(C=C(C=C3)I)Cl)S(=O)C4=NC=CS4)NS(=O)(=O)C5CC5

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

CCNC(=O)C1=C2C[C@@H](CN2C(=N[C@H]1C3=C(C=C(C=C3)I)Cl)S(=O)C4=NC=CS4)NS(=O)(=O)C5CC5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):