Geometry & MOs

Info

ID:	66748
PubChem CID:	46505195
Reduced:	BrSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	487.177707
ΔH_f, kcal/mol:	-116.41
Dipole, Da:	8.01
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(6,7-dimethoxy-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)N(C)C3=CC=C(C=C3)OC)Br

DOS

IR

Vibrations