Geometry & MOs

Info

ID:	197648
PubChem CID:	78983888
Reduced:	BrNS2O4H12C13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	294.063841
ΔH_f, kcal/mol:	-91.97
Dipole, Da:	7.18
IP(EA), eV:	-9.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-2,4-difluorophenyl)-4-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=C(C=CS3)Br

DOS

IR

Vibrations