Geometry & MOs

Info

ID:	133581
PubChem CID:	51557707
Reduced:	NSO6C27H29 (1)
Stoich.:	ABC6D27E29 (1)
Weight, g/mol:	397.083373
ΔH_f, kcal/mol:	-202.14
Dipole, Da:	8.15
IP(EA), eV:	-8.45(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

pyrrolidin-1-yl-[6-[2-(trifluoromethyl)phenyl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanolate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@@H](CC2=C(C1=O)[C@H](C(=C(N2)C)C(=O)OCC)C3=CC=CS3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations