Geometry & MOs

Info

ID:	144128
PubChem CID:	53317904
Reduced:	N2S2O5C28H28 (1)
Stoich.:	A2B2C5D28E28 (1)
Weight, g/mol:	589.066354
ΔH_f, kcal/mol:	-157.19
Dipole, Da:	7.79
IP(EA), eV:	-8.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-N,N-dimethyl-3-[4-[2-[(4-methylphenyl)sulfonylcarbamoylamino]ethyl]phenyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=C(C=C2)C3=C(SC4=C(C=C(C=C34)C)C)C(=O)OC

DOS

IR

Vibrations