Geometry & MOs

Info

ID:	27703
PubChem CID:	823156
Reduced:	O3N5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	312.008389
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	6.13
IP(EA), eV:	-9.19(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2-nitrophenyl)sulfanyl-6-methoxypyrimidin-5-amine

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C(=O)C3=C(N2)N(C(=O)N(C3=O)C)C)C

DOS

IR

Vibrations