Geometry & MOs

Info

ID:	245061
PubChem CID:	99437317
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	378.12628
ΔH_f, kcal/mol:	12.23
Dipole, Da:	1.86
IP(EA), eV:	-8.13(-1.26)
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]-2-(2-pyrazin-2-ylimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C2=CC=C(C=C2)NC(=O)CN3C=CN=C3C4=NC=CN=C4

DOS

IR

Vibrations