Geometry & MOs

Info

ID:	142300
PubChem CID:	53012547
Reduced:	SN2O3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	454.146347
ΔH_f, kcal/mol:	-66.48
Dipole, Da:	7.17
IP(EA), eV:	-8.06(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(=CC1)C2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations