Geometry & MOs

Info

ID:	427222
PubChem CID:	135156244
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	338.156518
ΔH_f, kcal/mol:	32.32
Dipole, Da:	7.48
IP(EA), eV:	-8.83(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-tert-butylphenyl)-6-methylimino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1CN2C(=O)C(=C(N=C2SC1)C3=CN=C(C=C3)C(C)(C)N(C)C)C#N

DOS

IR

Vibrations