Geometry & MOs

Info

ID:	426978
PubChem CID:	135154846
Reduced:	O4N5C25H29 (1)
Stoich.:	A4B5C25D29 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	3.2
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCC4=CC=CC=C4OC

DOS

IR

Vibrations