Geometry & MOs

Info

ID:

17480

PubChem CID:

500683

Reduced:

SN5O8C33H43 (1)

Stoich.:

AB5C8D33E43 (1)

Weight, g/mol:

669.283235

ΔHf, kcal/mol:

-309.16

Dipole, Da:

8.27

IP(EA), eV:

 -9.16(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-[[(2S,4R)-1-[(2R)-3-(acetamidomethylsulfanyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-quinolin-4-yloxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NCSC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NC2(C[C@@H]2C=C)C(=O)O)OC3=CC=NC4=CC=CC=C43)NC(=O)OC(C)(C)C

DOS

IR

Vibrations