Geometry & MOs

Info

ID:	366463
PubChem CID:	127319952
Reduced:	O2S2N5C16H23 (1)
Stoich.:	A2B2C5D16E23 (1)
Weight, g/mol:	354.208947
ΔH_f, kcal/mol:	-2.73
Dipole, Da:	2.82
IP(EA), eV:	-8.38(-1.11)
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]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CSC(=N1)C2=CN(N=C2)C)N3CCS(=O)CC3

DOS

IR

Vibrations