Geometry & MOs

Info

ID:	34847
PubChem CID:	7979006
Reduced:	FNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	393.046939
ΔH_f, kcal/mol:	-159.32
Dipole, Da:	1.48
IP(EA), eV:	-9.18(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@@H](CS2)C(=O)OCCOC3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations