Geometry & MOs

Info

ID:	184907
PubChem CID:	77227293
Reduced:	FSN4O7H21C24 (1)
Stoich.:	ABC4D7E21F24 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-147.38
Dipole, Da:	5.84
IP(EA), eV:	-8.96(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-(5-methylpyridin-3-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=C(C(=CC=C1)OC)OC)S(=O)(=O)C2=CC(=C3N=NC(=O)N3C4=CC=CC=C4F)C(=O)C=C2O

DOS

IR

Vibrations