Geometry & MOs

Info

ID:	95347
PubChem CID:	50008571
Reduced:	F3O4N5C26H30 (1)
Stoich.:	A3B4C5D26E30 (1)
Weight, g/mol:	522.259068
ΔH_f, kcal/mol:	-279.99
Dipole, Da:	10.65
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations