Geometry & MOs

Info

ID:	189228
PubChem CID:	77829244
Reduced:	SN2O5C20H30 (1)
Stoich.:	AB2C5D20E30 (1)
Weight, g/mol:	488.151622
ΔH_f, kcal/mol:	-232.68
Dipole, Da:	9.67
IP(EA), eV:	-9.46(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[2-[3-[[7-[2-(tetrazol-1-yl)ethenyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline

Drug info:

PubChemData

Smile

CC1CC(C(C(=O)N1)NS(=O)(=O)CC2=CC=CC=C2)CCC(=O)OC(C)(C)C

DOS

IR

Vibrations