Geometry & MOs

Info

ID:	135346
PubChem CID:	51855888
Reduced:	ClNOF2H16C18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	427.145344
ΔH_f, kcal/mol:	-106.0
Dipole, Da:	3.45
IP(EA), eV:	-9.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-5-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CC2=C(C=CC=C2Cl)F)C3=CC(=CC=C3)F

DOS

IR

Vibrations