Geometry & MOs

Info

ID:

107080

PubChem CID:

50188640

Reduced:

N6O6C37H52 (1)

Stoich.:

A6B6C37D52 (1)

Weight, g/mol:

577.32642

ΔHf, kcal/mol:

-255.22

Dipole, Da:

8.97

IP(EA), eV:

 -8.68(-0.48)

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-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCC(CC4)C)C)OC

DOS

IR

Vibrations