Geometry & MOs

Info

ID:

445068

PubChem CID:

135264424

Reduced:

ON2H22C31 (1)

Stoich.:

AB2C22D31 (1)

Weight, g/mol:

743.40467

ΔHf, kcal/mol:

142.17

Dipole, Da:

1.67

IP(EA), eV:

 -8.41(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-tert-butyl-N-[(2S)-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]-1-[[2-(hydroxymethoxy)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C=C/C=C(\C=C)/C1=CC(=CC(=N1)C2=CC=CC=C2)N3C4=CC=CC=C4C5=C3C=C6C(=C5)C=CO6

DOS

IR

Vibrations