Geometry & MOs

Info

ID:

104368

PubChem CID:

50104149

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-224.68

Dipole, Da:

7.74

IP(EA), eV:

 -8.96(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations