Geometry & MOs

Info

ID:	182616
PubChem CID:	76914856
Reduced:	SN3O3C12H15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-74.29
Dipole, Da:	3.17
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylisoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C=CC(=O)NC2(CCSC2)C(=O)O

DOS

IR

Vibrations