Geometry & MOs

Info

ID:	104492
PubChem CID:	50104406
Reduced:	FN6O6C32H35 (1)
Stoich.:	AB6C6D32E35 (1)
Weight, g/mol:	543.14812
ΔH_f, kcal/mol:	-240.43
Dipole, Da:	9.93
IP(EA), eV:	-8.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4F)OC

DOS

IR

Vibrations