Geometry & MOs

Info

ID:	378465
PubChem CID:	134224547
Reduced:	N2O2C23H24 (1)
Stoich.:	A2B2C23D24 (1)
Weight, g/mol:	253.007661
ΔH_f, kcal/mol:	-21.99
Dipole, Da:	4.55
IP(EA), eV:	-8.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(pyrimidin-4-ylamino)sulfanylphenol

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N

DOS

IR

Vibrations