Geometry & MOs

Info

ID:

299801

PubChem CID:

117695623

Reduced:

BrO7C13H21 (1)

Stoich.:

AB7C13D21 (1)

Weight, g/mol:

1120.64736

ΔHf, kcal/mol:

-312.31

Dipole, Da:

4.28

IP(EA), eV:

 -10.27(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoyl]phenyl]benzoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1[C@@H]([C@@H](OC([C@H]1OC(=O)C)Br)C(=O)OC)O

DOS

IR

Vibrations