Geometry & MOs

Info

ID:	296977
PubChem CID:	117604032
Reduced:	SF4O5C16H16 (1)
Stoich.:	AB4C5D16E16 (1)
Weight, g/mol:	536.289974
ΔH_f, kcal/mol:	-379.16
Dipole, Da:	2.67
IP(EA), eV:	-9.68(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(6-methoxypyridin-3-yl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)[C@]2(CCC(=CC2)OS(=O)(=O)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations