Geometry & MOs

Info

ID:

324912

PubChem CID:

126678595

Reduced:

N7O7C43H79 (1)

Stoich.:

A7B7C43D79 (1)

Weight, g/mol:

511.237702

ΔHf, kcal/mol:

-347.25

Dipole, Da:

12.57

IP(EA), eV:

 -9.03(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)CN[C@@H](C)C(=O)CN)NCC(=O)[C@H](C)NCCC(=O)[C@H](C)NCC(=O)[C@H](C)CCC/C=C/CCCCCC[C@](C)(C(=O)CC(=O)[C@H](C)NC)N

DOS

IR

Vibrations