Geometry & MOs

Info

ID:	150185
PubChem CID:	53789872
Reduced:	O6C31H40 (1)
Stoich.:	A6B31C40 (1)
Weight, g/mol:	611.201145
ΔH_f, kcal/mol:	-243.87
Dipole, Da:	1.97
IP(EA), eV:	-8.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-tert-butyl-4-[6-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxo-6-phenyloxan-3-yl]sulfanyl-2-methylphenyl] N-ethylsulfamate

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1C=CC(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C)C(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations