Geometry & MOs

Info

ID:	34849
PubChem CID:	7979008
Reduced:	FNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	-159.44
Dipole, Da:	2.05
IP(EA), eV:	-9.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[(2-phenylacetyl)amino]thiourea

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