Geometry & MOs

Info

ID:	91088
PubChem CID:	49973218
Reduced:	SO4N6C25H34 (1)
Stoich.:	AB4C6D25E34 (1)
Weight, g/mol:	542.229598
ΔH_f, kcal/mol:	-127.14
Dipole, Da:	10.22
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations