Geometry & MOs

Info

ID:	366459
PubChem CID:	127319948
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	385.239913
ΔH_f, kcal/mol:	-93.85
Dipole, Da:	5.5
IP(EA), eV:	-8.23(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropanoyl)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CC2)C(=O)NCC(C)(C)N3CCS(=O)CC3)OC

DOS

IR

Vibrations