Geometry & MOs

Info

ID:	170978
PubChem CID:	75307510
Reduced:	BrSSiN2O6C30H37 (1)
Stoich.:	ABCD2E6F30G37 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-174.45
Dipole, Da:	3.01
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-(3-ethylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]anilino]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C(C(C2O)O[Si](C)(C)C(C)(C)C)C3=CC=C(C=C3)Br)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations