Geometry & MOs

Info

ID:

178378

PubChem CID:

76318177

Reduced:

SN6H20C24 (1)

Stoich.:

AB6C20D24 (1)

Weight, g/mol:

686.36795

ΔHf, kcal/mol:

152.49

Dipole, Da:

3.25

IP(EA), eV:

 -7.72(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-[(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-amino-3-oxopropyl]-4-methyl-2-[(2-methylphenyl)carbamoyl-(2-phenylethyl)amino]pentanamide

Drug info:

PubChemData

Smile

CC1=C2C(N=C(N=C2N(N1)C3=CC4=C(C=C3)SC5=CC=CC=C5N4)N)C6=CC=CC=C6

DOS

IR

Vibrations