Geometry & MOs

Info

ID:	182422
PubChem CID:	76887673
Reduced:	OSN3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	338.057041
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	3.58
IP(EA), eV:	-8.9(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC1CCN(CC1)C2CC2)N

DOS

IR

Vibrations