Geometry & MOs

Info

ID:	192199
PubChem CID:	78242188
Reduced:	ClNO5H26C28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	497.196901
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	4.72
IP(EA), eV:	-8.56(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2CCC3C(C2)OC=C(C3=O)OC4=CC5=CC=CC=C5C=C4)Cl

DOS

IR

Vibrations