Geometry & MOs

Info

ID:	95338
PubChem CID:	50008469
Reduced:	O5N6C30H38 (1)
Stoich.:	A5B6C30D38 (1)
Weight, g/mol:	561.1387
ΔH_f, kcal/mol:	-185.58
Dipole, Da:	6.02
IP(EA), eV:	-9.04(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-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)NCC(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4

DOS

IR

Vibrations