Geometry & MOs

Info

ID:	219157
PubChem CID:	85091105
Reduced:	O2N5C40H57 (1)
Stoich.:	A2B5C40D57 (1)
Weight, g/mol:	640.227694
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	6.75
IP(EA), eV:	-8.3(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,6-dimethyl-7-oxo-8-phenyl-5-phenylmethoxy-2-(1,3-thiazol-2-ylsulfamoyl)oct-3-en-3-yl] hex-1-enyl carbonate

Drug info:

PubChemData

Smile

CC(C)N(CCCCCCCN1CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)C4CCN(CC4)CC5=C(N=CC=C5)OC

DOS

IR

Vibrations