Geometry & MOs

Info

ID:	404430
PubChem CID:	135066285
Reduced:	O2S2N3C27H31 (1)
Stoich.:	A2B2C3D27E31 (1)
Weight, g/mol:	522.051605
ΔH_f, kcal/mol:	3.26
Dipole, Da:	9.55
IP(EA), eV:	-8.92(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-1-benzyl-7-chloro-3-[(2R)-3,4-dichloro-5-oxo-2H-furan-2-yl]-2-oxoindol-3-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCC[C@@H]([C@@H]1CSC2=CC=CC=C2C1=C(C#N)C#N)NS(=O)(=O)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations