Geometry & MOs

Info

ID:	336172
PubChem CID:	127255179
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	11.48
Dipole, Da:	2.56
IP(EA), eV:	-8.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-oxopropyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)OC)C3=CSC(=N3)NC(=O)CCN4C=CC=C4

DOS

IR

Vibrations