Geometry & MOs

Info

ID:	137855
PubChem CID:	52273125
Reduced:	SF2O2N3C16H19 (1)
Stoich.:	AB2C2D3E16F19 (1)
Weight, g/mol:	272.133634
ΔH_f, kcal/mol:	-137.52
Dipole, Da:	3.59
IP(EA), eV:	-8.93(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(difluoromethoxy)phenyl]-3-[(2S)-3-methylbutan-2-yl]urea

Drug info:

PubChemData

Smile

CN(C)[C@H](CNC(=O)NC1=CC(=CC=C1)OC(F)F)C2=CSC=C2

DOS

IR

Vibrations