Geometry & MOs

Info

ID:

45227

PubChem CID:

10509713

Reduced:

NH7C33 (2)

Stoich.:

AB7C33 (2)

Weight, g/mol:

836.342826

ΔHf, kcal/mol:

1374.83

Dipole, Da:

14.95

IP(EA), eV:

 -7.64(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-(phenylmethoxycarbonylamino)pyridine-4-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CN1CC23C4=C5C6=C7C8=C9C%10=C7C4=C4C2=C2C7=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%17C%14=C%12C%12=C7C3(C1)C(=C%20%12)C5=C%19C6=C1C%18=C3C%16=C5C%15=C6C%13=C7C%11=C2C2=C4C%10=C4C22C7(C6=C6C5=C(C3=C18)C9=C64)CN(C2)C

DOS

IR

Vibrations