Geometry & MOs

Info

ID:	91260
PubChem CID:	49974667
Reduced:	ClN5O5C27H32 (1)
Stoich.:	AB5C5D27E32 (1)
Weight, g/mol:	537.258734
ΔH_f, kcal/mol:	-189.2
Dipole, Da:	5.48
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-methoxyphenyl)-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)NC4=C(C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations