Geometry & MOs

Info

ID:	311576
PubChem CID:	126594039
Reduced:	BrClSN2O2H16C18 (1)
Stoich.:	ABCD2E2F16G18 (1)
Weight, g/mol:	459.171355
ΔH_f, kcal/mol:	-19.34
Dipole, Da:	7.58
IP(EA), eV:	-9.44(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)-N-(4-hydroxybutan-2-yl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1Br)C)C(=CC(=N2)S(=O)(=O)NC)C3=CC=CC=C3Cl

DOS

IR

Vibrations