Geometry & MOs

Info

ID:	60217
PubChem CID:	26675920
Reduced:	SN2O4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	452.104208
ΔH_f, kcal/mol:	-65.9
Dipole, Da:	3.99
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2C#N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations