Geometry & MOs

Info

ID:	426728
PubChem CID:	135153582
Reduced:	BrOSF2N3H10C12 (1)
Stoich.:	ABCD2E3F10G12 (1)
Weight, g/mol:	318.075074
ΔH_f, kcal/mol:	-59.88
Dipole, Da:	3.23
IP(EA), eV:	-9.21(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-difluoro-5,5-dimethyl-7-pyrazolo[1,5-a]pyrimidin-6-ylthieno[2,3-c]pyridine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)C(=O)C2=C(N=NS2)C(F)F)Br

DOS

IR

Vibrations