Geometry & MOs

Info

ID:	192200
PubChem CID:	78242369
Reduced:	ClNO5C28H32 (1)
Stoich.:	ABC5D28E32 (1)
Weight, g/mol:	490.178024
ΔH_f, kcal/mol:	-117.72
Dipole, Da:	6.71
IP(EA), eV:	-8.55(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-naphthalen-2-yloxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl) 4-phenylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations