Geometry & MOs

Info

ID:

162458

PubChem CID:

57394725

Reduced:

N2O4H26C27 (1)

Stoich.:

A2B4C26D27 (1)

Weight, g/mol:

717.38902

ΔHf, kcal/mol:

-74.95

Dipole, Da:

6.85

IP(EA), eV:

-8.75(-1.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R)-2-[(2R,3S)-2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-4-oxo-N-[(1R)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)CN

DOS

IR

Vibrations