Geometry & MOs

Info

ID:	427223
PubChem CID:	135156245
Reduced:	SN4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	401.16856
ΔH_f, kcal/mol:	78.37
Dipole, Da:	4.84
IP(EA), eV:	-8.84(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(6-tert-butyl-5-fluoropyridin-3-yl)-7-cyano-N,N-dimethyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC)N3CCCSC3=N2)C#N

DOS

IR

Vibrations