Geometry & MOs

Info

ID:	91422
PubChem CID:	49975848
Reduced:	ClN5O5C29H36 (1)
Stoich.:	AB5C5D29E36 (1)
Weight, g/mol:	565.290034
ΔH_f, kcal/mol:	-190.23
Dipole, Da:	4.43
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methoxyanilino)-3-oxopropyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations