Geometry & MOs

Info

ID:	37311
PubChem CID:	8019406
Reduced:	ClN2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	273.033876
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	1.23
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylthiourea

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CO3)OC(=O)C4CCC4

DOS

IR

Vibrations