Geometry & MOs

Info

ID:	344104
PubChem CID:	127267280
Reduced:	N2F3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	337.104954
ΔH_f, kcal/mol:	-274.21
Dipole, Da:	6.21
IP(EA), eV:	-9.05(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-3-(5-fluoropyridin-2-yl)urea

Drug info:

PubChemData

Smile

CCOC=CC(CNC(=O)NC1=C(C=CC=C1C)C)(C(F)(F)F)O

DOS

IR

Vibrations