Geometry & MOs

Info

ID:	66524
PubChem CID:	46504734
Reduced:	BrSN2O4C18H25 (1)
Stoich.:	ABC2D4E18F25 (1)
Weight, g/mol:	516.07184
ΔH_f, kcal/mol:	-168.25
Dipole, Da:	7.74
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)CCS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C)Br

DOS

IR

Vibrations