Geometry & MOs

Info

ID:	364028
PubChem CID:	127313699
Reduced:	SO2N6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	289.099731
ΔH_f, kcal/mol:	6.06
Dipole, Da:	9.39
IP(EA), eV:	-9.06(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C)C)C2=NC(=C(S2)C(=O)N3CCC4=CN=CN=C4C3)C

DOS

IR

Vibrations