Geometry & MOs

Info

ID:	162421
PubChem CID:	57394616
Reduced:	ClSO4N5H18C20 (1)
Stoich.:	ABC4D5E18F20 (1)
Weight, g/mol:	450.103814
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	7.32
IP(EA), eV:	-9.19(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-cyano-2,3-diphenylindolizin-1-yl) benzenesulfonate

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC3=C2C(=O)N(C=N3)CC(=O)N/N=C/C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations