Geometry & MOs

Info

ID:	165852
PubChem CID:	74605260
Reduced:	F2N2O5C23H26 (1)
Stoich.:	A2B2C5D23E26 (1)
Weight, g/mol:	417.232422
ΔH_f, kcal/mol:	-257.43
Dipole, Da:	4.97
IP(EA), eV:	-7.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-oxo-2-(2-oxoazepan-3-yl)sulfanylquinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C=CC2=CC=CC=C2OC(F)F)OCC

DOS

IR

Vibrations