Geometry & MOs

Info

ID:	193528
PubChem CID:	78404031
Reduced:	BrION3H9C16 (1)
Stoich.:	ABCD3E9F16 (1)
Weight, g/mol:	368.094312
ΔH_f, kcal/mol:	139.5
Dipole, Da:	10.69
IP(EA), eV:	-9.14(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-3-(3-oxo-5-sulfanylidene-2,10a-dihydroimidazo[1,2-c]quinazolin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=C(C=C3C=C(C=C(C3=O)I)Br)C#N)N2)C=C1

DOS

IR

Vibrations