Geometry & MOs

Info

ID:	186192
PubChem CID:	77400780
Reduced:	SN4O6C17H22 (1)
Stoich.:	AB4C6D17E22 (1)
Weight, g/mol:	389.199094
ΔH_f, kcal/mol:	-220.84
Dipole, Da:	2.02
IP(EA), eV:	-8.01(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-ethenyl-8-ethyl-2-methylquinolin-3-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=C1SC(=C)N2C3C(CC(O3)COC(=O)C)OC(=O)C)N

DOS

IR

Vibrations