Geometry & MOs

Info

ID:	393929
PubChem CID:	135021990
Reduced:	ClO2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	438.169485
ΔH_f, kcal/mol:	-16.21
Dipole, Da:	3.76
IP(EA), eV:	-9.2(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-3-(4-fluorophenyl)-1-methylthiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)/C(=C/C=C/C2=CC=CC=C2)/Cl

DOS

IR

Vibrations