Geometry & MOs

Info

ID:	262838
PubChem CID:	103321945
Reduced:	BrClSF2N3H5C12 (1)
Stoich.:	ABCD2E3F5G12 (1)
Weight, g/mol:	312.08116
ΔH_f, kcal/mol:	0.26
Dipole, Da:	4.53
IP(EA), eV:	-9.13(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1=CSC2=NC(=NC(=C21)NC3=C(C=C(C=C3F)Br)F)Cl

DOS

IR

Vibrations