Geometry & MOs

Info

ID:

109746

PubChem CID:

50296043

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-230.75

Dipole, Da:

11.59

IP(EA), eV:

 -8.76(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(piperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC(C)C

DOS

IR

Vibrations