Geometry & MOs

Info

ID:	67323
PubChem CID:	46506276
Reduced:	SN4O4H20C22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	367.13322
ΔH_f, kcal/mol:	-90.25
Dipole, Da:	5.38
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

DOS

IR

Vibrations