Geometry & MOs

Info

ID:	339912
PubChem CID:	127261921
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	402.182254
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	5.6
IP(EA), eV:	-8.96(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[2-(3-chloroanilino)acetyl]-4-methylanilino)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNCCC2=CC=CC=C2

DOS

IR

Vibrations