Geometry & MOs

Info

ID:

105665

PubChem CID:

50135641

Reduced:

NOC6H8 (6)

Stoich.:

ABC6D8 (6)

Weight, g/mol:

708.363533

ΔHf, kcal/mol:

-242.72

Dipole, Da:

12.44

IP(EA), eV:

 -8.25(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C(C)C)OC

DOS

IR

Vibrations