Geometry & MOs

Info

ID:	322204
PubChem CID:	126669207
Reduced:	FON3H24C27 (1)
Stoich.:	ABC3D24E27 (1)
Weight, g/mol:	379.114376
ΔH_f, kcal/mol:	29.1
Dipole, Da:	4.42
IP(EA), eV:	-8.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NC(C)C2=NC3=CC=CC=C3C(=C2)C4=CC(=C(C=C4)F)C#N

DOS

IR

Vibrations