Geometry & MOs

Info

ID:	345899
PubChem CID:	127270199
Reduced:	FN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	373.126026
ΔH_f, kcal/mol:	-161.32
Dipole, Da:	3.13
IP(EA), eV:	-8.86(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCC(C3)NC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations