Geometry & MOs

Info

ID:	58098
PubChem CID:	24424044
Reduced:	OSN3C10H12 (2)
Stoich.:	ABC3D10E12 (2)
Weight, g/mol:	444.140216
ΔH_f, kcal/mol:	4.8
Dipole, Da:	3.35
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-3-[[2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-2-oxoacetyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)NNC(=O)C(=O)NNC(=S)NC2=CC(=CC(=C2)C)C)C

DOS

IR

Vibrations