Geometry & MOs

Info

ID:

437881

PubChem CID:

135227220

Reduced:

N3O6C33H55 (1)

Stoich.:

A3B6C33D55 (1)

Weight, g/mol:

577.409086

ΔHf, kcal/mol:

-344.05

Dipole, Da:

2.14

IP(EA), eV:

 -9.34(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5R)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-2-azaspiro[4.6]undecane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1([C@]2(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3CCCCC3)NC(=O)OC(C)(C)C)C(=O)OC)CC14CCC4)C

DOS

IR

Vibrations