Geometry & MOs

Info

ID:	273379
PubChem CID:	103770993
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	3.87
IP(EA), eV:	-9.59(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=CC=C1SCC#N)O

DOS

IR

Vibrations