Geometry & MOs

Info

ID:

53976

PubChem CID:

14718481

Reduced:

SiO3C27H44 (1)

Stoich.:

AB3C27D44 (1)

Weight, g/mol:

625.358782

ΔHf, kcal/mol:

-224.9

Dipole, Da:

6.28

IP(EA), eV:

 -9.16(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations