Geometry & MOs

Info

ID:

437884

PubChem CID:

135227223

Reduced:

N2O3C20H34 (1)

Stoich.:

A2B3C20D34 (1)

Weight, g/mol:

577.409086

ΔHf, kcal/mol:

-160.3

Dipole, Da:

3.71

IP(EA), eV:

 -9.39(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3S,5R)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-2-azaspiro[4.5]decane-3-carboxylate

Drug info:

PubChemData

Smile

CC1([C@]2(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)N)C(=O)OC)CC13CCC3)C

DOS

IR

Vibrations