Geometry & MOs

Info

ID:	34799
PubChem CID:	7978948
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	377.096476
ΔH_f, kcal/mol:	-142.42
Dipole, Da:	3.9
IP(EA), eV:	-8.92(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CN(C)C(=O)COC(=O)[C@H]1CS[C@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations