Geometry & MOs

Info

ID:	347128
PubChem CID:	127271632
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	10.7
Dipole, Da:	3.86
IP(EA), eV:	-8.5(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

DOS

IR

Vibrations