Geometry & MOs

Info

ID:	55774
PubChem CID:	17396486
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	451.09687
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	5.3
IP(EA), eV:	-8.88(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chloro-2-methoxybenzoyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1OC)C(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations