Geometry & MOs

Info

ID:	391237
PubChem CID:	135003759
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	598.073213
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	4.23
IP(EA), eV:	-9.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2R,11bS)-2-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-2,11b-dihydropyrimido[2,1-a]isoquinoline-3,4-dicarboxylate

Drug info:

PubChemData

Smile

C1C(N(C(=O)O1)NC(=O)CC2=CC=CC=C2)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations