Geometry & MOs

Info

ID:

395417

PubChem CID:

135025403

Reduced:

SN4O5C25H40 (1)

Stoich.:

AB4C5D25E40 (1)

Weight, g/mol:

480.240641

ΔHf, kcal/mol:

-218.38

Dipole, Da:

2.96

IP(EA), eV:

 -8.95(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N(C)[C@H]1CCO[C@H](C1)C2=NC(=CS2)C(=O)OCC)NC(=O)[C@H]3CCCCN3C

DOS

IR

Vibrations