Geometry & MOs

Info

ID:	34790
PubChem CID:	7978939
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-146.21
Dipole, Da:	3.8
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[3-(4-methylphenoxy)propanoylamino]thiourea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)COC(=O)[C@@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations