Geometry & MOs

Info

ID:	67344
PubChem CID:	46506312
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	484.166808
ΔH_f, kcal/mol:	-194.52
Dipole, Da:	5.03
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-N-(2-methoxyethyl)-1-[(2-oxochromen-4-yl)oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations