Geometry & MOs

Info

ID:	221239
PubChem CID:	85261630
Reduced:	N5O6C29H33 (1)
Stoich.:	A5B6C29D33 (1)
Weight, g/mol:	547.243084
ΔH_f, kcal/mol:	-178.39
Dipole, Da:	6.32
IP(EA), eV:	-9.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-methyl-1-oxo-1-[2-[[(2-phenylmethoxybenzoyl)amino]carbamoyl]hydrazinyl]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCC(=O)NN)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations