Geometry & MOs

Info

ID:

99169

PubChem CID:

50048770

Reduced:

F2N5O5C37H43 (1)

Stoich.:

A2B5C5D37E43 (1)

Weight, g/mol:

663.28684

ΔHf, kcal/mol:

-257.05

Dipole, Da:

3.16

IP(EA), eV:

 -8.87(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations