Geometry & MOs

Info

ID:

110425

PubChem CID:

50324156

Reduced:

FO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-268.82

Dipole, Da:

8.82

IP(EA), eV:

 -8.71(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-methyl-4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C(C)C)C(=O)NC(C)C

DOS

IR

Vibrations