Geometry & MOs

Info

ID:

17594

PubChem CID:

507058

Reduced:

N9O9C34H55 (1)

Stoich.:

A9B9C34D55 (1)

Weight, g/mol:

733.412274

ΔHf, kcal/mol:

-380.8

Dipole, Da:

15.41

IP(EA), eV:

 -10.18(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-(3-carboxypropanoylamino)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[1-(2H-tetrazol-5-yl)cyclopropyl]amino]propan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NC2(CC2)C3=NNN=N3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(=O)O

DOS

IR

Vibrations