Geometry & MOs

Info

ID:	154518
PubChem CID:	56313975
Reduced:	S2N3O4C22H31 (1)
Stoich.:	A2B3C4D22E31 (1)
Weight, g/mol:	476.053435
ΔH_f, kcal/mol:	-134.22
Dipole, Da:	3.93
IP(EA), eV:	-8.7(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC(CC(C)C)N3CCOCC3

DOS

IR

Vibrations