Geometry & MOs

Info

ID:

185197

PubChem CID:

77268447

Reduced:

N3O4C34H43 (1)

Stoich.:

A3B4C34D43 (1)

Weight, g/mol:

506.219906

ΔHf, kcal/mol:

-141.77

Dipole, Da:

5.57

IP(EA), eV:

 -8.72(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[2-(methoxycarbonylamino)ethyl]-2,7-dimethyl-3-oxo-1,4-benzothiazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1(NC(C(=O)N1CC2=CC=CC=C2)C(C(CC3=CC=CC=C3)N(C4=CC=CC=C4)C(=O)O)O)CCCC

DOS

IR

Vibrations