Geometry & MOs

Info

ID:	370514
PubChem CID:	127339481
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-171.98
Dipole, Da:	7.63
IP(EA), eV:	-9.15(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-6-[3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)COC2=CC=CC(=C2)NC(=O)C3CC3

DOS

IR

Vibrations