Geometry & MOs

Info

ID:	38005
PubChem CID:	8026342
Reduced:	BrOSN2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	415.177016
ΔH_f, kcal/mol:	33.51
Dipole, Da:	2.66
IP(EA), eV:	-9.23(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CN3C=C(C=CC3=O)Br

DOS

IR

Vibrations