Geometry & MOs

Info

ID:	429222
PubChem CID:	135169126
Reduced:	N6O6C39H44 (1)
Stoich.:	A6B6C39D44 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-159.17
Dipole, Da:	7.51
IP(EA), eV:	-8.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-4-oxo-1-N-(1-phenylpropyl)-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N(CC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C)C(=O)N(C)C5=CC=NC=C5

DOS

IR

Vibrations