Geometry & MOs

Info

ID:	84329
PubChem CID:	49865833
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	641.252586
ΔH_f, kcal/mol:	-38.91
Dipole, Da:	3.69
IP(EA), eV:	-8.94(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl (2S)-2-[2-(3-phenylmethoxycarbonyl-9H-pyrido[3,4-b]indol-1-yl)ethylamino]butanedioate

Drug info:

PubChemData

Smile

C1C2CON(C2C3=CC=CC=C3O1)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations