Geometry & MOs

Info

ID:	174166
PubChem CID:	75733420
Reduced:	SN3O6C23H27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	439.283492
ΔH_f, kcal/mol:	-119.34
Dipole, Da:	12.35
IP(EA), eV:	-9.87(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-propylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C(=C)C

DOS

IR

Vibrations