Geometry & MOs

Info

ID:	62391
PubChem CID:	26719668
Reduced:	SN3O3H15C16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	-47.98
Dipole, Da:	6.13
IP(EA), eV:	-8.61(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations