Geometry & MOs

Info

ID:	67237
PubChem CID:	46506117
Reduced:	BrSN2O5C18H25 (1)
Stoich.:	ABC2D5E18F25 (1)
Weight, g/mol:	488.09806
ΔH_f, kcal/mol:	-194.08
Dipole, Da:	11.3
IP(EA), eV:	-9.17(-0.93)
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-propan-2-yloxypropyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations