Geometry & MOs

Info

ID:

326552

PubChem CID:

126687765

Reduced:

N3O3C10H19 (1)

Stoich.:

A3B3C10D19 (1)

Weight, g/mol:

905.583756

ΔHf, kcal/mol:

-148.51

Dipole, Da:

1.57

IP(EA), eV:

-9.99(0.26)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(2R)-1-[[(1S)-1-amino-2-[[2-[[(1S)-1-[4-hydroxy-3-[(E,4R,5S)-3,6,6-trihydroxy-4,5-dimethylhex-1-enyl]phenyl]-2-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]-N-methylhexadecanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)CNC(=O)C(N)N

DOS

IR

Vibrations