Geometry & MOs

Info

ID:	156749
PubChem CID:	56374112
Reduced:	FSBr2N2O2C15H21 (1)
Stoich.:	ABC2D2E2F15G21 (1)
Weight, g/mol:	490.177372
ΔH_f, kcal/mol:	-140.17
Dipole, Da:	8.56
IP(EA), eV:	-8.4(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3,4-dimethoxy-5-[2-morpholin-4-ylethyl(phenyl)sulfamoyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)CNS(=O)(=O)C2=C(C=C(C=C2Br)F)Br

DOS

IR

Vibrations