Geometry & MOs

Info

ID:	364186
PubChem CID:	127314484
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-86.81
Dipole, Da:	8.56
IP(EA), eV:	-8.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-phenyl-1H-pyrazol-3-yl)thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations