Geometry & MOs

Info

ID:	307592
PubChem CID:	125307639
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	2.49
IP(EA), eV:	-8.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(2-phenylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1(CC2=C([C@H]([C@H]3C(=N2)NN(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C(=O)C1)C

DOS

IR

Vibrations