Geometry & MOs

Info

ID:	429263
PubChem CID:	135169167
Reduced:	IOSN2H7C9 (1)
Stoich.:	ABCD2E7F9 (1)
Weight, g/mol:	531.245724
ΔH_f, kcal/mol:	35.1
Dipole, Da:	5.81
IP(EA), eV:	-9.19(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C2=C1C=C(C=N2)C=O)SI

DOS

IR

Vibrations