Geometry & MOs

Info

ID:	67210
PubChem CID:	46506068
Reduced:	BrSN2O4C19H25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	552.09297
ΔH_f, kcal/mol:	-161.62
Dipole, Da:	6.88
IP(EA), eV:	-9.0(-0.76)
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-(3,4-dimethoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3CCCC3)Br

DOS

IR

Vibrations