Geometry & MOs

Info

ID:	95820
PubChem CID:	50015343
Reduced:	O4N5C29H39 (1)
Stoich.:	A4B5C29D39 (1)
Weight, g/mol:	599.21072
ΔH_f, kcal/mol:	-168.07
Dipole, Da:	4.83
IP(EA), eV:	-8.58(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bromoanilino)-1-oxopropan-2-yl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C

DOS

IR

Vibrations