Geometry & MOs

Info

ID:	95002
PubChem CID:	50005619
Reduced:	O5N6C31H42 (1)
Stoich.:	A5B6C31D42 (1)
Weight, g/mol:	557.16377
ΔH_f, kcal/mol:	-216.64
Dipole, Da:	11.83
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-bromoanilino)-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations