Geometry & MOs

Info

ID:	345901
PubChem CID:	127270201
Reduced:	FSN3O4C16H20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	383.131506
ΔH_f, kcal/mol:	-200.63
Dipole, Da:	6.37
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(1,1-dioxothiolan-3-yl)acetyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)NC2=CC=C(C=C2)F)C(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations