Geometry & MOs

Info

ID:

188940

PubChem CID:

77787755

Reduced:

SN3O4C32H33 (1)

Stoich.:

AB3C4D32E33 (1)

Weight, g/mol:

801.406126

ΔHf, kcal/mol:

-57.05

Dipole, Da:

6.35

IP(EA), eV:

 -8.74(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-[(2-hydroxy-4-phenylbutanoyl)amino]-2-(quinolin-3-ylcarbamoyl)pyrrolidine-1-carbonyl]-4-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC(CC3=CC=CC=C3)C(=O)CNS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations