Geometry & MOs

Info

ID:	58097
PubChem CID:	24424039
Reduced:	OSN3C11H14 (2)
Stoich.:	ABC3D11E14 (2)
Weight, g/mol:	444.140216
ΔH_f, kcal/mol:	8.38
Dipole, Da:	10.32
IP(EA), eV:	-8.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-[[2-[2-[(3,5-dimethylphenyl)carbamothioyl]hydrazinyl]-2-oxoacetyl]amino]thiourea

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C(=O)NNC(=S)NC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations