Geometry & MOs

Info

ID:	193208
PubChem CID:	78356524
Reduced:	OSN5C23H33 (1)
Stoich.:	ABC5D23E33 (1)
Weight, g/mol:	506.13511
ΔH_f, kcal/mol:	19.71
Dipole, Da:	7.09
IP(EA), eV:	-8.36(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-bromo-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-3-yl)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCCNC(=O)C2CCC(CC2)CNC3=NC(=S)N=C4C3C=CC=C4

DOS

IR

Vibrations