Geometry & MOs

Info

ID:	16873
PubChem CID:	478091
Reduced:	ClOSN3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	309.070261
ΔH_f, kcal/mol:	-9.34
Dipole, Da:	2.71
IP(EA), eV:	-8.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butan-2-yloxy-2-(4-chlorophenyl)sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)OC1=NC(=NC(=C1)N)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations