Geometry & MOs

Info

ID:	305797
PubChem CID:	124969636
Reduced:	ClSF2N2O4C28H29 (1)
Stoich.:	ABC2D2E4F28G29 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	-193.94
Dipole, Da:	9.34
IP(EA), eV:	-9.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)C[C@]2(CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)F)F)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations