Geometry & MOs

Info

ID:	138393
PubChem CID:	52358779
Reduced:	SN2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-107.82
Dipole, Da:	7.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.121434
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]acetamide

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CNC(=O)C1=CC=C(C=C1)S(=O)(=O)C)C2=CC(=CC=C2)OC

DOS

IR

Vibrations