Geometry & MOs

Info

ID:	82789
PubChem CID:	49856531
Reduced:	O5H12C17 (2)
Stoich.:	A5B12C17 (2)
Weight, g/mol:	328.105922
ΔH_f, kcal/mol:	-274.65
Dipole, Da:	2.45
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzamido-3-(2-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C(=C(O2)C3=CC4=C(C=C3)OC(O4)(C5=CC=CC=C5)C6=CC=CC=C6)OC(=O)C

DOS

IR

Vibrations