Geometry & MOs

Info

ID:

118940

PubChem CID:

50664270

Reduced:

ClO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

587.20661

ΔHf, kcal/mol:

-182.59

Dipole, Da:

3.72

IP(EA), eV:

 -9.14(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-chloro-2-methylanilino)-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations