Geometry & MOs

Info

ID:	174160
PubChem CID:	75732776
Reduced:	SN2O4C27H38 (1)
Stoich.:	AB2C4D27E38 (1)
Weight, g/mol:	360.277678
ΔH_f, kcal/mol:	-172.68
Dipole, Da:	2.97
IP(EA), eV:	-9.24(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-propylhexanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(CCC)C(C1=C(C=C(C=C1)C)C)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations