Geometry & MOs

Info

ID:	58123
PubChem CID:	24424232
Reduced:	OSN2C8H16 (2)
Stoich.:	ABC2D8E16 (2)
Weight, g/mol:	474.114396
ΔH_f, kcal/mol:	-103.74
Dipole, Da:	4.27
IP(EA), eV:	-8.46(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]cyclohexyl]thiourea

Drug info:

PubChemData

Smile

COCCCNC(=S)NC1CCC(CC1)NC(=S)NCCCOC

DOS

IR

Vibrations