Geometry & MOs

Info

ID:	366456
PubChem CID:	127319945
Reduced:	SN3O3C18H33 (1)
Stoich.:	AB3C3D18E33 (1)
Weight, g/mol:	326.177647
ΔH_f, kcal/mol:	-152.36
Dipole, Da:	5.38
IP(EA), eV:	-8.46(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)NCC(C)(C)N2CCS(=O)CC2

DOS

IR

Vibrations