Geometry & MOs

Info

ID:	429206
PubChem CID:	135169053
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	537.175452
ΔH_f, kcal/mol:	-26.91
Dipole, Da:	5.08
IP(EA), eV:	-9.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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

Smile

CN1C(CC1=O)C(=O)N(C)C2=CC=NC=C2

DOS

IR

Vibrations