Geometry & MOs

Info

ID:	158199
PubChem CID:	56463149
Reduced:	N2S2O5C17H26 (1)
Stoich.:	A2B2C5D17E26 (1)
Weight, g/mol:	415.102434
ΔH_f, kcal/mol:	-201.66
Dipole, Da:	5.67
IP(EA), eV:	-9.61(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-ethylsulfonylethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C

DOS

IR

Vibrations