Geometry & MOs

Info

ID:

81472

PubChem CID:

49854765

Reduced:

N2O5H24C29 (1)

Stoich.:

A2B5C24D29 (1)

Weight, g/mol:

485.158685

ΔHf, kcal/mol:

-102.47

Dipole, Da:

12.47

IP(EA), eV:

 -9.34(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-benzhydryl-1-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8,9-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H](N2C=C(C(=O)C(=O)C2=C(N1CC3=CC=CC=C3)O)C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations