Geometry & MOs

Info

ID:	426804
PubChem CID:	135153988
Reduced:	O3N6C25H26 (1)
Stoich.:	A3B6C25D26 (1)
Weight, g/mol:	412.17467
ΔH_f, kcal/mol:	10.86
Dipole, Da:	4.78
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(2S,3R)-2-(ethylcarbamoyl)-4-oxoazetidin-3-yl]methyl]pyridin-2-yl] N-[(4-methoxyphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCC4=CC(=CC=C4)C#N

DOS

IR

Vibrations