Geometry & MOs

Info

ID:	391735
PubChem CID:	135009098
Reduced:	ClS2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	459.156968
ΔH_f, kcal/mol:	48.26
Dipole, Da:	4.74
IP(EA), eV:	-8.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzothiazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-tert-butyl-4-methylpentanethioamide

Drug info:

PubChemData

Smile

CCC(C(=S)NC1CCCCC1)N(CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations