Geometry & MOs

Info

ID:	29576
PubChem CID:	835416
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	231.108171
ΔH_f, kcal/mol:	-92.92
Dipole, Da:	5.78
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-methylidene-N-phenylcyclohexane-1-carbothioamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC(=C2)C

DOS

IR

Vibrations