Geometry & MOs

Info

ID:

91912

PubChem CID:

49980184

Reduced:

N2O2C13H18 (3)

Stoich.:

A2B2C13D18 (3)

Weight, g/mol:

722.355861

ΔHf, kcal/mol:

-260.55

Dipole, Da:

11.5

IP(EA), eV:

 -8.96(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(piperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)C

DOS

IR

Vibrations