Geometry & MOs

Info

ID:	38376
PubChem CID:	8034050
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	354.060903
ΔH_f, kcal/mol:	34.82
Dipole, Da:	6.53
IP(EA), eV:	-8.64(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,1,3-benzothiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C([C@H](N2C(=N1)N=NN2)CC(C)C)C(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations