Geometry & MOs

Info

ID:

95036

PubChem CID:

50005902

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-204.38

Dipole, Da:

11.16

IP(EA), eV:

 -8.87(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCCC2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations