Geometry & MOs

Info

ID:	420887
PubChem CID:	135114990
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	384.135508
ΔH_f, kcal/mol:	-46.27
Dipole, Da:	3.45
IP(EA), eV:	-8.54(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2C[C@@H]3COC[C@H](C2)NC3=O)OC

DOS

IR

Vibrations