Geometry & MOs

Info

ID:	335194
PubChem CID:	127254055
Reduced:	OH2C3 (9)
Stoich.:	AB2C3 (9)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	-234.94
Dipole, Da:	6.31
IP(EA), eV:	-8.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6,7-dimethoxy-N-methyl-2-[(2S)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC1=C(OC2=C(C(=C3C(=O)C=C(OC3=C12)C4=CC=CC=C4)O)O)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations