Geometry & MOs

Info

ID:	429184
PubChem CID:	135169031
Reduced:	FN2O4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	507.208196
ΔH_f, kcal/mol:	-187.52
Dipole, Da:	2.4
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(3,4-difluorophenyl)propyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)OC)C2=NC=C(C(=C2)CO)F

DOS

IR

Vibrations