Geometry & MOs

Info

ID:	178245
PubChem CID:	76303386
Reduced:	SN4O6C23H26 (1)
Stoich.:	AB4C6D23E26 (1)
Weight, g/mol:	459.135173
ΔH_f, kcal/mol:	-132.2
Dipole, Da:	6.57
IP(EA), eV:	-8.87(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=C2)CNS(=O)(=O)C3=CC(=CC(=C3OC)OC)C=CC(=O)OC)C

DOS

IR

Vibrations