Geometry & MOs

Info

ID:	347127
PubChem CID:	127271631
Reduced:	SN3O3C16H17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	-72.75
Dipole, Da:	3.7
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CSC=C2)CN3C(=O)C4CCCCN4C3=O

DOS

IR

Vibrations