Geometry & MOs

Info

ID:

191023

PubChem CID:

78095131

Reduced:

NH27C29 (1)

Stoich.:

AB27C29 (1)

Weight, g/mol:

635.337064

ΔHf, kcal/mol:

134.48

Dipole, Da:

3.0

IP(EA), eV:

 -8.16(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C=C(C#CC1=CC=CC=C1)C2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations