Geometry & MOs

Info

ID:	195700
PubChem CID:	78724286
Reduced:	SO2N4C15H25 (1)
Stoich.:	AB2C4D15E25 (1)
Weight, g/mol:	332.135863
ΔH_f, kcal/mol:	39.33
Dipole, Da:	5.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752018
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylphenyl)-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]thiourea

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=S)NCCC[NH+](C)C

DOS

IR

Vibrations