Geometry & MOs

Info

ID:	339917
PubChem CID:	127261926
Reduced:	O3N4C27H32 (1)
Stoich.:	A3B4C27D32 (1)
Weight, g/mol:	402.182254
ΔH_f, kcal/mol:	-59.76
Dipole, Da:	4.04
IP(EA), eV:	-9.02(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNC2=CC(=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations