Geometry & MOs

Info

ID:	133589
PubChem CID:	51559074
Reduced:	SN3O3C26H35 (1)
Stoich.:	AB3C3D26E35 (1)
Weight, g/mol:	462.231871
ΔH_f, kcal/mol:	-102.58
Dipole, Da:	9.58
IP(EA), eV:	-9.05(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](C3=CC=CC=C3)N4CCCC4)C

DOS

IR

Vibrations