Geometry & MOs

Info

ID:	38314
PubChem CID:	8030122
Reduced:	ClNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	397.091869
ΔH_f, kcal/mol:	-154.78
Dipole, Da:	3.0
IP(EA), eV:	-9.06(-1.03)
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]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCOC

DOS

IR

Vibrations