Geometry & MOs

Info

ID:

298109

PubChem CID:

117647550

Reduced:

N3O4C25H45 (1)

Stoich.:

A3B4C25D45 (1)

Weight, g/mol:

736.550271

ΔHf, kcal/mol:

-235.64

Dipole, Da:

2.49

IP(EA), eV:

 -9.08(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-phenyldecyl (2S)-1-[(E,4S)-2,5-dimethyl-4-[methyl-[(2S)-3-methyl-2-[[(2R)-1-propan-2-ylpiperidine-2-carbonyl]amino]butanoyl]amino]hex-2-enoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](/C=C(\C)/C(=O)OC(C)C)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H]1CCCCN1C

DOS

IR

Vibrations