Geometry & MOs

Info

ID:

438613

PubChem CID:

135228357

Reduced:

O3N4C17H36 (1)

Stoich.:

A3B4C17D36 (1)

Weight, g/mol:

1347.722058

ΔHf, kcal/mol:

-186.43

Dipole, Da:

1.65

IP(EA), eV:

-9.02(0.21)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-methyl-N-[3-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[[(2S)-1-[[4-methyl-1-oxo-1-[(2S)-2-[(2S)-2-(2-sulfanylacetyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-5-oxoheptanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N[C@@H](CCCNC(N)O)C(=O)C(C)C)NC(C)C

DOS

IR

Vibrations