Geometry & MOs

Info

ID:	204362
PubChem CID:	79954004
Reduced:	N2O2S3C14H28 (1)
Stoich.:	A2B2C3D14E28 (1)
Weight, g/mol:	379.96527
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	6.67
IP(EA), eV:	-8.54(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-N,4-dimethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1CSCCN1C2(CC(CSC2)(C)C)CN

DOS

IR

Vibrations