Geometry & MOs

Info

ID:	174119
PubChem CID:	75725971
Reduced:	ClN3O3C27H28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	518.314458
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	4.66
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dimethylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)Cl)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations