Geometry & MOs

Info

ID:	67265
PubChem CID:	46506162
Reduced:	BrSN2O4C27H27 (1)
Stoich.:	ABC2D4E27F27 (1)
Weight, g/mol:	492.07184
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	9.09
IP(EA), eV:	-9.03(-0.87)
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-methyl-N-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Br

DOS

IR

Vibrations