Geometry & MOs

Info

ID:	56496
PubChem CID:	17435933
Reduced:	SF2O2N4H12C18 (1)
Stoich.:	AB2C2D4E12F18 (1)
Weight, g/mol:	305.104338
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	2.54
IP(EA), eV:	-8.94(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methylurea

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations