Geometry & MOs

Info

ID:

437890

PubChem CID:

135227229

Reduced:

SN5O7C34H55 (1)

Stoich.:

AB5C7D34E55 (1)

Weight, g/mol:

718.445155

ΔHf, kcal/mol:

-321.37

Dipole, Da:

8.85

IP(EA), eV:

 -9.64(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,8S)-9-[(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3,3-dimethylbutanoyl]-N-[(1R)-2-ethyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-11,11-dimethyl-9-azadispiro[3.1.46.14]undecane-8-carboxamide

Drug info:

PubChemData

Smile

CC1([C@]2(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]3(CC3C=C)C(=O)NS(=O)(=O)N4CCCC4)CC15CCC5)C

DOS

IR

Vibrations