Geometry & MOs

Info

ID:	402110
PubChem CID:	135054414
Reduced:	SO3C46H46 (1)
Stoich.:	AB3C46D46 (1)
Weight, g/mol:	398.114772
ΔH_f, kcal/mol:	0.83
Dipole, Da:	5.17
IP(EA), eV:	-8.47(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-(benzenesulfonylcarbamoyl)-3-(butan-2-ylamino)but-2-enedioate

Drug info:

PubChemData

Smile

CC(C)(C)S[C@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[C@@H](COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

DOS

IR

Vibrations