Geometry & MOs

Info

ID:	67252
PubChem CID:	46506142
Reduced:	BrClSN3O4C31H33 (1)
Stoich.:	ABCD3E4F31G33 (1)
Weight, g/mol:	492.07184
ΔH_f, kcal/mol:	-103.34
Dipole, Da:	12.28
IP(EA), eV:	-8.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)Br

DOS

IR

Vibrations