Geometry & MOs

Info

ID:	175446
PubChem CID:	75906708
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	279.165686
ΔH_f, kcal/mol:	32.49
Dipole, Da:	5.19
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-N-[(2,4-dimethylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCCCSC(C)C(=O)NC1=CC=CC(=C1)C2=NN=NN2C

DOS

IR

Vibrations