Geometry & MOs

Info

ID:

191020

PubChem CID:

78094948

Reduced:

NO3C17H27 (1)

Stoich.:

AB3C17D27 (1)

Weight, g/mol:

756.353443

ΔHf, kcal/mol:

-146.74

Dipole, Da:

4.81

IP(EA), eV:

 -9.38(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[[5-[(2-fluorophenyl)methyl]-3-hydroxy-6-[(3-hydroxy-3,4-dihydro-2H-chromen-4-yl)amino]-1-[4-(6-methoxypyridin-3-yl)phenyl]-6-oxohexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC(C(C)C(=O)N(C)C(C)C(C1=CC=CC=C1)O)O

DOS

IR

Vibrations