Geometry & MOs

Info

ID:	444911
PubChem CID:	135263919
Reduced:	O2S2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	472.236208
ΔH_f, kcal/mol:	-38.52
Dipole, Da:	2.85
IP(EA), eV:	-8.96(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(6-methoxy-4-methylpyridin-3-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)CCSC(=S)C1=CC=CC=C1

DOS

IR

Vibrations