Geometry & MOs

Info

ID:	366430
PubChem CID:	127319919
Reduced:	SO3N5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	364.168145
ΔH_f, kcal/mol:	-121.02
Dipole, Da:	1.82
IP(EA), eV:	-8.81(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CCC(=O)NC3CCN(C3)C(=O)N)C

DOS

IR

Vibrations