Geometry & MOs

Info

ID:	173999
PubChem CID:	75711399
Reduced:	N2O3C20H38 (1)
Stoich.:	A2B3C20D38 (1)
Weight, g/mol:	494.317829
ΔH_f, kcal/mol:	-198.87
Dipole, Da:	4.57
IP(EA), eV:	-9.74(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hexanoyl(hexyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]heptanamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1CCCCC1)C(=O)NCCCC)C(=O)CO

DOS

IR

Vibrations