Geometry & MOs

Info

ID:	339539
PubChem CID:	127261529
Reduced:	ClON3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	224.073182
ΔH_f, kcal/mol:	40.29
Dipole, Da:	3.54
IP(EA), eV:	-8.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminoacetyl)-1-anilinothiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN(C(=O)CN)/N=C/C2=CC=C(C3=CC=CC=C23)Cl

DOS

IR

Vibrations