Geometry & MOs

Info

ID:	347196
PubChem CID:	127271737
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-27.3
Dipole, Da:	4.41
IP(EA), eV:	-8.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3=NC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations