Geometry & MOs

Info

ID:	157887
PubChem CID:	56458797
Reduced:	OCl2N5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	447.136511
ΔH_f, kcal/mol:	27.87
Dipole, Da:	5.37
IP(EA), eV:	-8.31(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-(5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NNC(=N2)NC(=O)/C=C/C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations