Geometry & MOs

Info

ID:	445173
PubChem CID:	135264776
Reduced:	INSO2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	575.20295
ΔH_f, kcal/mol:	-22.77
Dipole, Da:	1.91
IP(EA), eV:	-9.26(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[3-[3-cyano-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]butyl]-6-oxopyridin-3-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)/C=C/C1=CC=CC(=N1)COSI

DOS

IR

Vibrations