Geometry & MOs

Info

ID:	13667
PubChem CID:	396811
Reduced:	ClOSN4C19H21 (1)
Stoich.:	ABCD4E19F21 (1)
Weight, g/mol:	388.11246
ΔH_f, kcal/mol:	7.35
Dipole, Da:	4.13
IP(EA), eV:	-8.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,6-diamino-N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]hexanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)NC(=O)[C@H](CCCCN)N)Cl

DOS

IR

Vibrations