Geometry & MOs

Info

ID:	342023
PubChem CID:	127264736
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	272.133634
ΔH_f, kcal/mol:	-104.04
Dipole, Da:	4.97
IP(EA), eV:	-8.73(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-difluoroethyl)-3-(4-hydroxy-1-phenylbutyl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CCCN2CCC(CC2)NS(=O)(=O)C

DOS

IR

Vibrations