Geometry & MOs

Info

ID:	67260
PubChem CID:	46506151
Reduced:	BrSN2O4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	508.06676
ΔH_f, kcal/mol:	-135.46
Dipole, Da:	5.81
IP(EA), eV:	-8.76(-0.79)
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-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations