Geometry & MOs

Info

ID:	67248
PubChem CID:	46506136
Reduced:	SBr2N2O4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	529.16099
ΔH_f, kcal/mol:	-113.17
Dipole, Da:	14.24
IP(EA), eV:	-8.76(-1.02)
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-[3-(dipropylamino)propyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)Br)Br

DOS

IR

Vibrations