Geometry & MOs

Info

ID:

299804

PubChem CID:

117695695

Reduced:

N11O12C59H83 (1)

Stoich.:

A11B12C59D83 (1)

Weight, g/mol:

1079.714711

ΔHf, kcal/mol:

-505.96

Dipole, Da:

9.31

IP(EA), eV:

 -9.64(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,4R)-3-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopentyl]-N'-[(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]decanediamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@H](COCC(=O)N)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@H](COCC(=O)N)C5=CC=CC=C5)C(C)(C)C)NC

DOS

IR

Vibrations