Geometry & MOs

Info

ID:

298110

PubChem CID:

117647551

Reduced:

N4O5C44H72 (1)

Stoich.:

A4B5C44D72 (1)

Weight, g/mol:

479.372307

ΔHf, kcal/mol:

-290.23

Dipole, Da:

4.12

IP(EA), eV:

 -8.83(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (E,4R)-4-[[(2R)-2-[(1-tert-butylpiperidine-2-carbonyl)amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCC(C1=CC=CC=C1)OC(=O)[C@@H]2CCCN2C(=O)/C(=C/[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]3CCCCN3C(C)C)/C

DOS

IR

Vibrations