Geometry & MOs

Info

ID:	134286
PubChem CID:	51672911
Reduced:	NSO4C18H29 (1)
Stoich.:	ABC4D18E29 (1)
Weight, g/mol:	373.134779
ΔH_f, kcal/mol:	-170.33
Dipole, Da:	6.83
IP(EA), eV:	-8.97(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC)C(C)C

DOS

IR

Vibrations