Geometry & MOs

Info

ID:

106523

PubChem CID:

50166496

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-238.44

Dipole, Da:

7.46

IP(EA), eV:

 -8.78(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)C)C)C

DOS

IR

Vibrations