Geometry & MOs

Info

ID:

114436

PubChem CID:

50482763

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

603.285698

ΔHf, kcal/mol:

-254.2

Dipole, Da:

4.91

IP(EA), eV:

 -8.81(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C)C)F

DOS

IR

Vibrations