Geometry & MOs

Info

ID:

97408

PubChem CID:

50031260

Reduced:

NOC6H7 (6)

Stoich.:

ABC6D7 (6)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-197.91

Dipole, Da:

4.55

IP(EA), eV:

 -8.8(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)N5CCOCC5

DOS

IR

Vibrations