Geometry & MOs

Info

ID:	339910
PubChem CID:	127261919
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	3.18
IP(EA), eV:	-8.62(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(4-methyl-N-[2-(2-phenoxyanilino)acetyl]anilino)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNC2=CC=CC=C2OC

DOS

IR

Vibrations