Geometry & MOs

Info

ID:	36676
PubChem CID:	8010828
Reduced:	NO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-126.28
Dipole, Da:	4.6
IP(EA), eV:	-8.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)OC

DOS

IR

Vibrations