Geometry & MOs

Info

ID:	235963
PubChem CID:	92711202
Reduced:	ON2S2C24H26 (1)
Stoich.:	AB2C2D24E26 (1)
Weight, g/mol:	484.220951
ΔH_f, kcal/mol:	8.96
Dipole, Da:	4.22
IP(EA), eV:	-8.19(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(1R)-6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(S3)C5=C(CC4)SC(=C5)C

DOS

IR

Vibrations