Geometry & MOs

Info

ID:

106995

PubChem CID:

50185352

Reduced:

FN5O5C31H40 (1)

Stoich.:

AB5C5D31E40 (1)

Weight, g/mol:

581.301348

ΔHf, kcal/mol:

-251.03

Dipole, Da:

3.85

IP(EA), eV:

 -8.91(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations