Geometry & MOs

Info

ID:	17315
PubChem CID:	492823
Reduced:	ClOSN4C11H11 (1)
Stoich.:	ABCD4E11F11 (1)
Weight, g/mol:	282.03421
ΔH_f, kcal/mol:	19.32
Dipole, Da:	3.47
IP(EA), eV:	-9.13(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-amino-6-chloropyrimidin-2-yl)sulfanylmethyl]pyridin-4-yl]methanol

Drug info:

PubChemData

Smile

C1=CN=C(C=C1CO)CSC2=NC(=CC(=N2)Cl)N

DOS

IR

Vibrations