Geometry & MOs

Info

ID:	43350
PubChem CID:	10321163
Reduced:	NI2S2H3C9 (1)
Stoich.:	AB2C2D3E9 (1)
Weight, g/mol:	442.01891
ΔH_f, kcal/mol:	115.91
Dipole, Da:	2.65
IP(EA), eV:	-8.91(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-(1-hydroxypyridin-4-ylidene)urea

Drug info:

PubChemData

Smile

C1=CSC2=C1C3=C(SC(=C3N=C2)I)I

DOS

IR

Vibrations