Geometry & MOs

Info

ID:	49272
PubChem CID:	11532572
Reduced:	ClN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	452.992999
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	3.29
IP(EA), eV:	-8.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)N(CCO)C3=C(C=CC=N3)Cl

DOS

IR

Vibrations