Geometry & MOs

Info

ID:	132256
PubChem CID:	51330184
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	338.072513
ΔH_f, kcal/mol:	-105.51
Dipole, Da:	7.54
IP(EA), eV:	-8.21(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(N=C1SC(C)C(=O)NC2=C(C=CC(=C2)OC)OC)C)C

DOS

IR

Vibrations