Geometry & MOs

Info

ID:	352882
PubChem CID:	127283972
Reduced:	S2N3O5C15H17 (1)
Stoich.:	A2B3C5D15E17 (1)
Weight, g/mol:	395.151492
ΔH_f, kcal/mol:	-120.64
Dipole, Da:	6.52
IP(EA), eV:	-9.71(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCS(=O)(=O)CC1)NC(=O)C2=NOC(=C2)C3=CC=CS3

DOS

IR

Vibrations