Geometry & MOs

Info

ID:	95629
PubChem CID:	50010815
Reduced:	FO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	507.284555
ΔH_f, kcal/mol:	-187.92
Dipole, Da:	5.36
IP(EA), eV:	-8.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylanilino)-2-oxoethyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations