Geometry & MOs

Info

ID:

15591

PubChem CID:

445289

Reduced:

N8O8C27H44 (1)

Stoich.:

A8B8C27D44 (1)

Weight, g/mol:

608.32821

ΔHf, kcal/mol:

-368.84

Dipole, Da:

10.75

IP(EA), eV:

 -9.36(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-(2-aminoacetyl)-N-[(2S)-1-hydroxy-1-[[2-oxo-2-[(2S)-2-[(2S)-2-[[2-oxo-2-[[(2R)-1-oxopropan-2-yl]amino]ethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)CNC([C@H](C)NC(=O)[C@@H]3CCCN3C(=O)CN)O

DOS

IR

Vibrations