Geometry & MOs

Info

ID:

298113

PubChem CID:

117647562

Reduced:

N3O4C25H45 (1)

Stoich.:

A3B4C25D45 (1)

Weight, g/mol:

493.387957

ΔHf, kcal/mol:

-233.39

Dipole, Da:

3.57

IP(EA), eV:

 -9.08(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/[C@H](C(C)C)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)C1CC(CCN1C)C)/C

DOS

IR

Vibrations