Geometry & MOs

Info

ID:	133585
PubChem CID:	51558306
Reduced:	FN2O2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	455.999671
ΔH_f, kcal/mol:	-32.86
Dipole, Da:	6.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.991470
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoacetyl]amino]thiourea

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations