Geometry & MOs

Info

ID:	105272
PubChem CID:	50106793
Reduced:	BrO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	517.18921
ΔH_f, kcal/mol:	-138.85
Dipole, Da:	6.53
IP(EA), eV:	-9.04(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations