Geometry & MOs

Info

ID:

307816

PubChem CID:

125309545

Reduced:

SO2N5H15C18 (1)

Stoich.:

AB2C5D15E18 (1)

Weight, g/mol:

547.10591

ΔHf, kcal/mol:

136.9

Dipole, Da:

5.49

IP(EA), eV:

 -9.0(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3R,4S)-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-4-[[(2S)-1-methoxypropan-2-yl]carbamoyl]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=C4C=CC=CC4=NC3

DOS

IR

Vibrations