Geometry & MOs

Info

ID:	390699
PubChem CID:	135000406
Reduced:	N2C31H48 (1)
Stoich.:	A2B31C48 (1)
Weight, g/mol:	469.200156
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	2.87
IP(EA), eV:	-8.96(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-5-benzamido-2-(benzylamino)-2-cyano-5-oxo-3-phenylpentanoate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)/N=C(\CCC(C)(C)C)/C2=C(C=CC=C2CCC(C)(C)C)CCC(C)(C)C

DOS

IR

Vibrations