Geometry & MOs

Info

ID:	31054
PubChem CID:	854318
Reduced:	ClO5H13C18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	300.048797
ΔH_f, kcal/mol:	-153.47
Dipole, Da:	7.22
IP(EA), eV:	-9.51(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl

DOS

IR

Vibrations