Geometry & MOs

Info

ID:	29378
PubChem CID:	833434
Reduced:	OSN2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-31.08
Dipole, Da:	4.21
IP(EA), eV:	-8.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-hydroxy-5-methylphenyl)carbamothioyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC(=S)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations