Geometry & MOs

Info

ID:

110498

PubChem CID:

50327429

Reduced:

F2O5N6C32H34 (1)

Stoich.:

A2B5C6D32E34 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-256.28

Dipole, Da:

7.09

IP(EA), eV:

 -8.89(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(2-methoxybenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C(=O)N

DOS

IR

Vibrations