Geometry & MOs

Info

ID:	158694
PubChem CID:	56465020
Reduced:	SN4O4C26H32 (1)
Stoich.:	AB4C4D26E32 (1)
Weight, g/mol:	358.171499
ΔH_f, kcal/mol:	-69.33
Dipole, Da:	2.92
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CCC(=O)NC(C2=NC(=NO2)C3CC3)C(C)C)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations