Geometry & MOs

Info

ID:	158563
PubChem CID:	56464180
Reduced:	N2S2O4C21H26 (1)
Stoich.:	A2B2C4D21E26 (1)
Weight, g/mol:	451.087178
ΔH_f, kcal/mol:	-136.72
Dipole, Da:	7.6
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2-ethylsulfonylethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCC(=O)N(C1C2=CC=CS2)C3=CC=C(C=C3)C

DOS

IR

Vibrations