Geometry & MOs

Info

ID:	300481
PubChem CID:	121315703
Reduced:	OS2F3N6H15C20 (1)
Stoich.:	AB2C3D6E15F20 (1)
Weight, g/mol:	496.212198
ΔH_f, kcal/mol:	-26.55
Dipole, Da:	10.26
IP(EA), eV:	-9.34(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(4-tert-butyl-3-fluorophenyl)-2-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations