Geometry & MOs

Info

ID:	192198
PubChem CID:	78242187
Reduced:	NCl2O5C25H25 (1)
Stoich.:	AB2C5D25E25 (1)
Weight, g/mol:	491.149951
ΔH_f, kcal/mol:	-177.58
Dipole, Da:	1.89
IP(EA), eV:	-8.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[(3-naphthalen-2-yloxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl)oxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OC2=COC3CC(CCC3C2=O)OCC(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations