Geometry & MOs

Info

ID:	404083
PubChem CID:	135064942
Reduced:	SN2O8C26H26 (1)
Stoich.:	AB2C8D26E26 (1)
Weight, g/mol:	426.207406
ΔH_f, kcal/mol:	-192.53
Dipole, Da:	3.29
IP(EA), eV:	-9.37(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-chlorophenyl)-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-yl]methyl]-4-(dimethylamino)benzamide

Drug info:

PubChemData

Smile

COC(=O)C([C@H](CCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations