Geometry & MOs

Info

ID:	82433
PubChem CID:	49856025
Reduced:	ClSO2N3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	13.81
Dipole, Da:	3.0
IP(EA), eV:	-8.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CC2=C1C=C(C=C2)C(=O)NO)C3=NC(=CS3)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations