Geometry & MOs

Info

ID:	64067
PubChem CID:	29195981
Reduced:	ClFSO2N4H20C24 (1)
Stoich.:	ABCD2E4F20G24 (1)
Weight, g/mol:	454.189257
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	2.17
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N=C2N(C(=O)[C@@H](S2)CC(=O)NC3=CC=C(C=C3)F)CC4=CC=CC=N4)Cl

DOS

IR

Vibrations