Geometry & MOs

Info

ID:	82941
PubChem CID:	49856852
Reduced:	FO2N6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	525.134986
ΔH_f, kcal/mol:	13.03
Dipole, Da:	8.38
IP(EA), eV:	-8.31(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyphenyl)-1-[2-oxo-2-(thian-4-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)F)C2=C(C=NN2)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations