Geometry & MOs

Info

ID:

311542

PubChem CID:

126593636

Reduced:

O2C9H12 (2)

Stoich.:

A2B9C12 (2)

Weight, g/mol:

991.643003

ΔHf, kcal/mol:

-186.74

Dipole, Da:

4.12

IP(EA), eV:

 -8.88(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-3,3-dimethyl-1-[methyl-[[(2S)-1-[[(2S)-1-[methyl-[(2S)-4-methyl-1-[methyl-[methyl-[methyl-[(E,3R)-3-methylhept-5-enyl]carbamoyl]carbamoyl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]amino]-1-oxobutan-2-yl]-2-[[(2R)-2-[formylcarbamoyl(methyl)amino]butanoyl]-methylamino]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)OC)O

DOS

IR

Vibrations