Geometry & MOs

Info

ID:	366441
PubChem CID:	127319930
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	380.224597
ΔH_f, kcal/mol:	-147.94
Dipole, Da:	5.59
IP(EA), eV:	-8.28(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-cyclopropyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN1CCCCCCC1=O)N2CCS(=O)CC2

DOS

IR

Vibrations