Geometry & MOs

Info

ID:

185619

PubChem CID:

77321107

Reduced:

SN3O6C25H31 (1)

Stoich.:

AB3C6D25E31 (1)

Weight, g/mol:

609.258734

ΔHf, kcal/mol:

-216.19

Dipole, Da:

14.69

IP(EA), eV:

 -8.38(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[2-[[1-hydroxy-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]-2-oxoethyl]-2-oxoquinolin-3-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)N2CCCC2)C(=O)OC3=CC=C(C=C3)S(=O)(=O)N4CC(CC4C(=O)O)N

DOS

IR

Vibrations