Geometry & MOs

Info

ID:	321327
PubChem CID:	126665811
Reduced:	OSN2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	550.203919
ΔH_f, kcal/mol:	24.26
Dipole, Da:	1.69
IP(EA), eV:	-8.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]isoquinolin-7-yl]-5-(trifluoromethyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=CSC(=N2)NC(=O)C3CC=NO3

DOS

IR

Vibrations