Geometry & MOs

Info

ID:	339920
PubChem CID:	127261929
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	-58.77
Dipole, Da:	2.25
IP(EA), eV:	-8.44(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCC(=O)N(C2=CC=C(C=C2)C)[C@@H](CCCCN)C(=O)N

DOS

IR

Vibrations