Geometry & MOs

Info

ID:	23812
PubChem CID:	606148
Reduced:	SN4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	296.109568
ΔH_f, kcal/mol:	61.4
Dipole, Da:	3.23
IP(EA), eV:	-8.26(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CC2=C(CC1C3=CC=CC=C3)SC4=NC(=NC(=C24)N)N

DOS

IR

Vibrations