Geometry & MOs

Info

ID:	137444
PubChem CID:	52208959
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	368.083078
ΔH_f, kcal/mol:	-54.84
Dipole, Da:	9.45
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-1-(3-methoxyphenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2[C@H](SCC(=O)N=C2NN1)C3=CC(=C(C=C3)OC4CCCC4)OC

DOS

IR

Vibrations