Geometry & MOs

Info

ID:	364189
PubChem CID:	127314487
Reduced:	N2S2O4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	307.171834
ΔH_f, kcal/mol:	-156.54
Dipole, Da:	1.67
IP(EA), eV:	-8.27(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC(=C(C=C2)O)NC(=O)C3CCSCC3

DOS

IR

Vibrations