Geometry & MOs

Info

ID:	217947
PubChem CID:	85088632
Reduced:	NO3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	414.157957
ΔH_f, kcal/mol:	-232.58
Dipole, Da:	9.14
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(benzylamino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1CC(=O)OC1O)NC(=O)COC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations