Geometry & MOs

Info

ID:	110516
PubChem CID:	50328399
Reduced:	ClO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	543.14812
ΔH_f, kcal/mol:	-152.91
Dipole, Da:	6.44
IP(EA), eV:	-9.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations