Geometry & MOs

Info

ID:	58121
PubChem CID:	24424228
Reduced:	SN2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	440.206839
ΔH_f, kcal/mol:	19.91
Dipole, Da:	9.93
IP(EA), eV:	-8.29(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-[4-[(3,5-dimethylphenyl)carbamothioylamino]cyclohexyl]thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=S)NC2CCC(CC2)NC(=S)NC3=C(C=CC=C3C)C

DOS

IR

Vibrations