Geometry & MOs

Info

ID:	77456
PubChem CID:	49635651
Reduced:	S2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	364.162077
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	5.72
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)C(=O)NCC2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations