Geometry & MOs

Info

ID:	67223
PubChem CID:	46506087
Reduced:	BrSN2O4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	476.06167
ΔH_f, kcal/mol:	-128.63
Dipole, Da:	7.17
IP(EA), eV:	-8.63(-0.75)
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-(2,2-dimethoxyethyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCCC4=CC=CC=C43)Br

DOS

IR

Vibrations