Geometry & MOs

Info

ID:

312627

PubChem CID:

126606919

Reduced:

O7C31H38 (1)

Stoich.:

A7B31C38 (1)

Weight, g/mol:

610.21584

ΔHf, kcal/mol:

-269.66

Dipole, Da:

3.68

IP(EA), eV:

 -8.71(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[4-[2-[1-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]heptyl]pyridin-4-yl]-3-formamidophenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)CC(O2)(C)COC3=CC=C(C=C3)CC4=C(C=CC(C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C

DOS

IR

Vibrations