Geometry & MOs

Info

ID:	140974
PubChem CID:	52793007
Reduced:	S2N3O5C16H19 (1)
Stoich.:	A2B3C5D16E19 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-139.11
Dipole, Da:	3.31
IP(EA), eV:	-9.19(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC(=O)NNC(=O)C2=C(C=C(S2)S(=O)(=O)N)C

DOS

IR

Vibrations