Geometry & MOs

Info

ID:	262819
PubChem CID:	103320233
Reduced:	ClSN2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	267.059696
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	2.94
IP(EA), eV:	-9.19(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-yl)-2-chlorothieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC2=C3C=CSC3=NC(=N2)Cl

DOS

IR

Vibrations