Geometry & MOs

Info

ID:	166279
PubChem CID:	74662322
Reduced:	SO3N4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	442.059946
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	6.47
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-3-methylidene-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4=NC=CS4

DOS

IR

Vibrations