Geometry & MOs

Info

ID:	46274
PubChem CID:	10523649
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	377.011511
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	2.75
IP(EA), eV:	-8.37(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-ylsulfanyl)-5-phenylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\C1=CC=CC=C1)/NNC2=CC=CC=C2)/C3=NCCCCC3

DOS

IR

Vibrations