Geometry & MOs

Info

ID:	56302
PubChem CID:	17425032
Reduced:	Cl2N3O3H11C15 (1)
Stoich.:	A2B3C3D11E15 (1)
Weight, g/mol:	452.122835
ΔH_f, kcal/mol:	-83.09
Dipole, Da:	5.73
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NC(=O)COC3=C(C=CC(=C3)Cl)Cl)NC(=O)N2

DOS

IR

Vibrations