Geometry & MOs

Info

ID:	429284
PubChem CID:	135169199
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	457.21139
ΔH_f, kcal/mol:	-73.93
Dipole, Da:	6.46
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-benzhydryl-2-N-ethyl-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H]1C(C(=O)N1C(=O)N[C@H](C)C2=CC=CC=C2)CC3=CC(=NC=C3)N

DOS

IR

Vibrations