Geometry & MOs

Info

ID:	34797
PubChem CID:	7978946
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-139.22
Dipole, Da:	2.71
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[2-(4-ethylphenoxy)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