Geometry & MOs

Info

ID:	38315
PubChem CID:	8030123
Reduced:	O2S2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	397.091869
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	5.93
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S)-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

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3C4=CC=CC=C4SC3=O

DOS

IR

Vibrations