Geometry & MOs

Info

ID:	219044
PubChem CID:	85090405
Reduced:	SO4N6C27H38 (1)
Stoich.:	AB4C6D27E38 (1)
Weight, g/mol:	542.303224
ΔH_f, kcal/mol:	-136.5
Dipole, Da:	5.86
IP(EA), eV:	-9.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-hydroxyphenyl)methyl]-5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-[(3-phenylmethoxyphenyl)methyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations