Geometry & MOs

Info

ID:

215259

PubChem CID:

85084443

Reduced:

SO7N9C38H55 (1)

Stoich.:

AB7C9D38E55 (1)

Weight, g/mol:

782.2759

ΔHf, kcal/mol:

-286.81

Dipole, Da:

7.14

IP(EA), eV:

 -8.51(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[2-carboxy-2-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)oxirane-2-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-[[3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCSC)C(=O)NN)N1CCC(C1=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations