Geometry & MOs

Info

ID:

191024

PubChem CID:

78095163

Reduced:

FN3O6C36H46 (1)

Stoich.:

AB3C6D36E46 (1)

Weight, g/mol:

635.337064

ΔHf, kcal/mol:

-303.09

Dipole, Da:

1.97

IP(EA), eV:

 -8.88(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[5-[(2-fluorophenyl)methyl]-3-hydroxy-6-[(2-hydroxycyclohexyl)amino]-1-[4-(6-methoxypyridin-3-yl)phenyl]-6-oxohexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CCC(C1NC(=O)C(CC2=CC=CC=C2F)CC(C(CC3=CC=C(C=C3)C4=CN=C(C=C4)OC)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations