Geometry & MOs

Info

ID:	67438
PubChem CID:	46506478
Reduced:	BrFOCl2N5H11C16 (1)
Stoich.:	ABCD2E5F11G16 (1)
Weight, g/mol:	378.115047
ΔH_f, kcal/mol:	4.48
Dipole, Da:	6.53
IP(EA), eV:	-8.92(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N)Cl)Cl

DOS

IR

Vibrations