Geometry & MOs

Info

ID:

47337

PubChem CID:

10531663

Reduced:

F3N3O3C34H46 (1)

Stoich.:

A3B3C3D34E46 (1)

Weight, g/mol:

601.272276

ΔHf, kcal/mol:

-275.92

Dipole, Da:

6.66

IP(EA), eV:

 -8.93(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F)N(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3

DOS

IR

Vibrations