Geometry & MOs

Info

ID:

96217

PubChem CID:

50019435

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

617.301348

ΔHf, kcal/mol:

-173.42

Dipole, Da:

8.65

IP(EA), eV:

 -9.23(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations