Geometry & MOs

Info

ID:

149985

PubChem CID:

53789668

Reduced:

FN2O7C37H43 (1)

Stoich.:

AB2C7D37E43 (1)

Weight, g/mol:

658.31284

ΔHf, kcal/mol:

-277.44

Dipole, Da:

8.56

IP(EA), eV:

 -8.74(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2S)-2-[[(2R)-5-[4-[1-[(4-methoxycarbonylbenzoyl)amino]pyridin-1-ium-4-yl]phenyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pent-4-enoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCC(CCC)N(C1=CC(=C(C=C1)F)C)C(=O)CN2C[C@@H](C([C@@H]2CCC3=C4C(=CC=C3)OCO4)C(=O)O)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations