Geometry & MOs

Info

ID:	317497
PubChem CID:	126639396
Reduced:	NC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	528.215489
ΔH_f, kcal/mol:	3.31
Dipole, Da:	1.71
IP(EA), eV:	-8.21(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,2-dimethylimidazol-4-yl)sulfinylamino]-1-[(3-ethyl-5-oxopyrrolidin-2-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC(=C)/C=C(/C)\C(=C(\C)/N)\C

DOS

IR

Vibrations