Geometry & MOs

Info

ID:

16976

PubChem CID:

481470

Reduced:

N6O11C36H54 (1)

Stoich.:

A6B11C36D54 (1)

Weight, g/mol:

746.385057

ΔHf, kcal/mol:

-488.73

Dipole, Da:

8.38

IP(EA), eV:

 -9.27(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(3R)-1-cyclohex-3-en-1-yl-1,2-dioxohex-5-en-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC=C)C(=O)C(=O)C2CCC=CC2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

DOS

IR

Vibrations