Geometry & MOs

Info

ID:	322208
PubChem CID:	126669218
Reduced:	FN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	403.129884
ΔH_f, kcal/mol:	-170.23
Dipole, Da:	5.73
IP(EA), eV:	-8.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[(3S)-1-(2-hydroxyethyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CN(C(=O)[C@@H]2NC(=O)NC3=CC=C(C=C3)F)CCO

DOS

IR

Vibrations