Geometry & MOs

Info

ID:	34892
PubChem CID:	7979060
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-169.38
Dipole, Da:	4.83
IP(EA), eV:	-9.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations