Geometry & MOs

Info

ID:	329517
PubChem CID:	126737764
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	581.171988
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	3.02
IP(EA), eV:	-9.54(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,2-dimethylpropanoylamino)-5-(trifluoromethyl)pyridin-2-yl]methyl 2-(4-aminosulfanyl-2-fluorobenzoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@](O1)(COC)C#C

DOS

IR

Vibrations