Geometry & MOs

Info

ID:	150636
PubChem CID:	53790329
Reduced:	N2S2O6C19H26 (1)
Stoich.:	A2B2C6D19E26 (1)
Weight, g/mol:	443.043961
ΔH_f, kcal/mol:	-192.68
Dipole, Da:	3.67
IP(EA), eV:	-9.42(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]amino]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCN(C1=C(C=CC(=C1)S(=O)(=O)C)C(=O)C(=CN(C)C)C(=O)C2CC2)S(=O)(=O)C

DOS

IR

Vibrations