Geometry & MOs

Info

ID:	34808
PubChem CID:	7978957
Reduced:	SO2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	419.143426
ΔH_f, kcal/mol:	31.1
Dipole, Da:	5.3
IP(EA), eV:	-8.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

DOS

IR

Vibrations