Geometry & MOs

Info

ID:	366186
PubChem CID:	127319599
Reduced:	BrSN2O3C16H19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	320.083078
ΔH_f, kcal/mol:	-106.6
Dipole, Da:	6.55
IP(EA), eV:	-8.34(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-4-(1,3-oxazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC(=O)NC3CCCS(=O)(=O)C3)Br

DOS

IR

Vibrations