Geometry & MOs

Info

ID:	70164
PubChem CID:	47208257
Reduced:	N3O3S3C10H11 (1)
Stoich.:	A3B3C3D10E11 (1)
Weight, g/mol:	313.065176
ΔH_f, kcal/mol:	-58.27
Dipole, Da:	3.51
IP(EA), eV:	-9.67(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-chlorophenoxy)propanoylamino]-3-cyclopropylthiourea

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N

DOS

IR

Vibrations