Geometry & MOs

Info

ID:	155610
PubChem CID:	56366281
Reduced:	ClSN4O4C20H23 (1)
Stoich.:	ABC4D4E20F23 (1)
Weight, g/mol:	454.1021
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	3.6
IP(EA), eV:	-9.2(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(=O)NC3=CN=CC=C3)Cl

DOS

IR

Vibrations