Geometry & MOs

Info

ID:	56586
PubChem CID:	17436451
Reduced:	SN3O5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	208.078268
ΔH_f, kcal/mol:	-174.11
Dipole, Da:	9.51
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-butylsulfanylpyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations