Geometry & MOs

Info

ID:	58095
PubChem CID:	24424024
Reduced:	S2N4O5C22H30 (1)
Stoich.:	A2B4C5D22E30 (1)
Weight, g/mol:	437.063462
ΔH_f, kcal/mol:	-142.67
Dipole, Da:	10.06
IP(EA), eV:	-8.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydroindole-1-carbothioamide

Drug info:

PubChemData

Smile

COCCCNC(=S)NC1=CC(=C(C=C1)N2CCOCC2)S(=O)(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations