Geometry & MOs

Info

ID:	60193
PubChem CID:	26675879
Reduced:	SN2O6C25H26 (1)
Stoich.:	AB2C6D25E26 (1)
Weight, g/mol:	442.119858
ΔH_f, kcal/mol:	-187.09
Dipole, Da:	6.92
IP(EA), eV:	-8.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)C)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations