Geometry & MOs

Info

ID:	130216
PubChem CID:	51075295
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	288.110791
ΔH_f, kcal/mol:	-4.93
Dipole, Da:	4.57
IP(EA), eV:	-8.95(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethylsulfanyl)-N-[3-(dimethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(S2)C(=O)NCCCN3C=CN=C3)C=C1

DOS

IR

Vibrations