Geometry & MOs

Info

ID:	66541
PubChem CID:	46504761
Reduced:	BrSN3O4C25H30 (1)
Stoich.:	ABC3D4E25F30 (1)
Weight, g/mol:	535.11404
ΔH_f, kcal/mol:	-128.52
Dipole, Da:	6.45
IP(EA), eV:	-8.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-[4-(diethylamino)-2-methylphenyl]propanamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)CCS(=O)(=O)C3=C(C=C4CCN(C4=C3)C(=O)C)Br

DOS

IR

Vibrations