Geometry & MOs

Info

ID:	364015
PubChem CID:	127313686
Reduced:	FO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-66.17
Dipole, Da:	4.5
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)N2CCC3=CN=CN=C3C2)C4=CC=C(C=C4)F

DOS

IR

Vibrations