Geometry & MOs

Info

ID:

85148

PubChem CID:

49872083

Reduced:

ON9C26H29 (1)

Stoich.:

AB9C26D29 (1)

Weight, g/mol:

977.373523

ΔHf, kcal/mol:

106.14

Dipole, Da:

3.4

IP(EA), eV:

 -8.46(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NN(C2=NC=CC(=C12)N3C=C(N=C3)C4=CN(N=C4)C)C5=C(C=C(C=C5)C(=O)N)NC(C)C

DOS

IR

Vibrations