Geometry & MOs

Info

ID:	138162
PubChem CID:	52321561
Reduced:	S2O3N5H14C16 (1)
Stoich.:	A2B3C5D14E16 (1)
Weight, g/mol:	424.109293
ΔH_f, kcal/mol:	35.23
Dipole, Da:	5.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.898779
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(7R)-7-(3-methoxyphenyl)-2,5-dioxo-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridin-3-yl]acetate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C2=NN=C(S2)N=C(CN3C(=O)C=CC(=N3)C4=CC=CS4)[O-]

DOS

IR

Vibrations