Geometry & MOs

Info

ID:	263019
PubChem CID:	103334060
Reduced:	S2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	323.036246
ΔH_f, kcal/mol:	28.25
Dipole, Da:	2.72
IP(EA), eV:	-8.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenyl)sulfanyl-N-ethylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)N=C(N=C2SCC(C)C)NC

DOS

IR

Vibrations