Geometry & MOs

Info

ID:

107082

PubChem CID:

50188704

Reduced:

N5O5C33H45 (1)

Stoich.:

A5B5C33D45 (1)

Weight, g/mol:

589.32642

ΔHf, kcal/mol:

-210.14

Dipole, Da:

3.79

IP(EA), eV:

 -9.04(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations