Geometry & MOs

Info

ID:

446831

PubChem CID:

135278061

Reduced:

F2C9H11 (2)

Stoich.:

A2B9C11 (2)

Weight, g/mol:

664.441115

ΔHf, kcal/mol:

-155.16

Dipole, Da:

3.72

IP(EA), eV:

-9.04(-0.6)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-methylpropyl (3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoate

Drug info:

PubChemData

Smile

CCC=C/C(=C\C=C)/C/C(=C/C=C(\C)/C(F)(F)F)/C(C=C)F

DOS

IR

Vibrations