Geometry & MOs

Info

ID:

120621

PubChem CID:

50737328

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-261.29

Dipole, Da:

7.08

IP(EA), eV:

 -8.78(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC=C3C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations