Geometry & MOs

Info

ID:	34901
PubChem CID:	7979069
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-159.0
Dipole, Da:	3.38
IP(EA), eV:	-9.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations