Geometry & MOs

Info

ID:

298114

PubChem CID:

117647564

Reduced:

N3O4C28H51 (1)

Stoich.:

A3B4C28D51 (1)

Weight, g/mol:

465.356657

ΔHf, kcal/mol:

-247.07

Dipole, Da:

0.91

IP(EA), eV:

 -8.83(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,4S)-4-[[3,3-dimethyl-2-[[(2R)-1-(3-methylbutan-2-yl)piperidine-2-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/[C@H](C(C)C)N(C)C(=O)C(C(C)(C)C)NC(=O)[C@H]1CCCCN1C(C)C(C)C)/C

DOS

IR

Vibrations