Geometry & MOs

Info

ID:

312644

PubChem CID:

126607122

Reduced:

ClO5C29H31 (1)

Stoich.:

AB5C29D31 (1)

Weight, g/mol:

596.200189

ΔHf, kcal/mol:

-179.05

Dipole, Da:

2.15

IP(EA), eV:

 -8.73(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[2-[1-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-5-methylhexyl]pyridin-4-yl]-4-formamidobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(OC2)COC3=CC=C(C=C3)CC4=C(C=CC(=C4)C5CC(CC(O5)CO)O)Cl

DOS

IR

Vibrations