Geometry & MOs

Info

ID:	67204
PubChem CID:	46506059
Reduced:	BrClSN3O4C24H27 (1)
Stoich.:	ABCD3E4F24G27 (1)
Weight, g/mol:	496.10314
ΔH_f, kcal/mol:	-122.95
Dipole, Da:	3.15
IP(EA), eV:	-8.9(-0.99)
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-(cyclohexen-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4Cl)Br

DOS

IR

Vibrations