Geometry & MOs

Info

ID:	104359
PubChem CID:	50104127
Reduced:	O5N6C27H34 (1)
Stoich.:	A5B6C27D34 (1)
Weight, g/mol:	556.220096
ΔH_f, kcal/mol:	-196.32
Dipole, Da:	6.23
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[2-chloro-5-(propanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)NC(=O)C

DOS

IR

Vibrations