Geometry & MOs

Info

ID:	134287
PubChem CID:	51673087
Reduced:	NSO4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	373.134779
ΔH_f, kcal/mol:	-139.73
Dipole, Da:	8.97
IP(EA), eV:	-9.28(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2,3-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC2=C1C=CC=C2C(=O)N[C@@H](C)C3=CC=C(C=C3)S(=O)(=O)C)C

DOS

IR

Vibrations