Geometry & MOs

Info

ID:	58058
PubChem CID:	24423805
Reduced:	SN2O3C16H26 (1)
Stoich.:	AB2C3D16E26 (1)
Weight, g/mol:	322.095141
ΔH_f, kcal/mol:	-105.34
Dipole, Da:	6.63
IP(EA), eV:	-8.28(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(2,4-difluorophenyl)-1-(2-hydroxyethyl)thiourea

Drug info:

PubChemData

Smile

COCCN(CCOC)C(=S)NCCC1=CC=C(C=C1)OC

DOS

IR

Vibrations