Geometry & MOs

Info

ID:	376030
PubChem CID:	134222030
Reduced:	BrN2O2F7H18C22 (1)
Stoich.:	AB2C2D7E18F22 (1)
Weight, g/mol:	274.078742
ΔH_f, kcal/mol:	-410.11
Dipole, Da:	1.06
IP(EA), eV:	-9.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-[(1S)-3-fluoro-1-hydroxypropyl]phenyl]-methyl-oxo-lambda6-sulfanylidene]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC(=O)NCC(F)(F)F)Br)C(F)(F)F)F

DOS

IR

Vibrations