Geometry & MOs

Info

ID:	83985
PubChem CID:	49863066
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	567.236936
ΔH_f, kcal/mol:	38.46
Dipole, Da:	7.27
IP(EA), eV:	-9.2(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-[2-(4-phenylmethoxyphenyl)hydrazinyl]pentanoate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC=NC2=C1NC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations