Geometry & MOs

Info

ID:	67264
PubChem CID:	46506161
Reduced:	BrSF2N2O4H19C20 (1)
Stoich.:	ABC2D2E4F19G20 (1)
Weight, g/mol:	554.08749
ΔH_f, kcal/mol:	-210.32
Dipole, Da:	9.24
IP(EA), eV:	-9.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations