Geometry & MOs

Info

ID:

178364

PubChem CID:

76315761

Reduced:

F2N2O3H22C24 (1)

Stoich.:

A2B2C3D22E24 (1)

Weight, g/mol:

626.295179

ΔHf, kcal/mol:

-109.18

Dipole, Da:

5.1

IP(EA), eV:

 -8.79(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-5-[[(1S)-1-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-amino-3-oxopropyl]amino]-4-[(2-methylphenyl)carbamoyl-(2-phenylethyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=CC=C2)OCCNCC3=CN=CC=C3)COC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations