Geometry & MOs

Info

ID:	112380
PubChem CID:	50404867
Reduced:	O5N6C29H38 (1)
Stoich.:	A5B6C29D38 (1)
Weight, g/mol:	483.228183
ΔH_f, kcal/mol:	-190.37
Dipole, Da:	4.99
IP(EA), eV:	-9.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluoroanilino)-2-oxoethyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC(C)C)C(=O)NC

DOS

IR

Vibrations