Geometry & MOs

Info

ID:

105987

PubChem CID:

50145206

Reduced:

ClO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

607.292532

ΔHf, kcal/mol:

-137.11

Dipole, Da:

9.63

IP(EA), eV:

 -8.61(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC4)C)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations