Geometry & MOs

Info

ID:	182424
PubChem CID:	76887679
Reduced:	SF2N2O3C13H18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	281.156184
ΔH_f, kcal/mol:	-210.35
Dipole, Da:	6.62
IP(EA), eV:	-8.4(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C(CCSC)N)OC(F)F

DOS

IR

Vibrations