Geometry & MOs

Info

ID:	359689
PubChem CID:	127299071
Reduced:	SN3O5C17H29 (1)
Stoich.:	AB3C5D17E29 (1)
Weight, g/mol:	370.167477
ΔH_f, kcal/mol:	-251.56
Dipole, Da:	2.95
IP(EA), eV:	-10.0(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)C(=O)N1CCS(=O)(=O)CC1)NC(=O)C2CCCCC2

DOS

IR

Vibrations