Geometry & MOs

Info

ID:	429246
PubChem CID:	135169150
Reduced:	ClF3O3N5C25H27 (1)
Stoich.:	AB3C3D5E25F27 (1)
Weight, g/mol:	537.175452
ΔH_f, kcal/mol:	-258.41
Dipole, Da:	2.87
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-[(2-aminopyridin-4-yl)methyl]-2-N-(4-chlorophenyl)-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-4-oxoazetidine-1,2-dicarboxamide

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

C1CCC(CC1)[C@@H](C(F)(F)F)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)NC4=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

C1CCC(CC1)[C@@H](C(F)(F)F)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):