Geometry & MOs

Info

ID:

326688

PubChem CID:

126688007

Reduced:

N2P2O3C10H16 (1)

Stoich.:

A2B2C3D10E16 (1)

Weight, g/mol:

1021.609971

ΔHf, kcal/mol:

-107.0

Dipole, Da:

5.33

IP(EA), eV:

-10.02(-2.12)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(2R)-1-[[(2R)-1-[[2-[[(1S)-1-[3-[5-[(2S)-3-[[(2R)-4-(dimethylamino)-3,4-dioxobutan-2-yl]amino]-2-methyl-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-N-methylhexadecanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C(=PP)C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations