Geometry & MOs

Info

ID:	366210
PubChem CID:	127319643
Reduced:	NSO4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	370.136257
ΔH_f, kcal/mol:	-155.36
Dipole, Da:	6.9
IP(EA), eV:	-9.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1,1-dioxothian-3-yl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC3CCCS(=O)(=O)C3)C

DOS

IR

Vibrations