Geometry & MOs

Info

ID:	352715
PubChem CID:	127283804
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	9.06
IP(EA), eV:	-8.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[[2-(1-oxo-1,4-thiazinan-4-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)CN3CCS(=O)CC3

DOS

IR

Vibrations