Geometry & MOs

Info

ID:	342149
PubChem CID:	127264862
Reduced:	Cl2N2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	342.100283
ΔH_f, kcal/mol:	-123.66
Dipole, Da:	1.04
IP(EA), eV:	-9.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)Cl)Cl)NC(=O)N2CC3COCC(C2)O3

DOS

IR

Vibrations