Geometry & MOs

Info

ID:	66642
PubChem CID:	46504975
Reduced:	BrClSN3O3C23H25 (1)
Stoich.:	ABCD3E3F23G25 (1)
Weight, g/mol:	460.04563
ΔH_f, kcal/mol:	-56.62
Dipole, Da:	10.9
IP(EA), eV:	-8.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(C=C4CCN(C4=C3)C(=O)C5CC5)Br

DOS

IR

Vibrations