Geometry & MOs

Info

ID:	144127
PubChem CID:	53317903
Reduced:	BrO2N6C24H25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	536.143964
ΔH_f, kcal/mol:	43.94
Dipole, Da:	3.11
IP(EA), eV:	-8.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,7-dimethyl-3-[4-[2-[(4-methylphenyl)sulfonylcarbamoylamino]ethyl]phenyl]-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Br

DOS

IR

Vibrations