Geometry & MOs

Info

ID:	339916
PubChem CID:	127261925
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	-59.66
Dipole, Da:	2.52
IP(EA), eV:	-8.52(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(4-methyl-N-[2-(3-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(=C2)C

DOS

IR

Vibrations