Geometry & MOs

Info

ID:	79499
PubChem CID:	49786852
Reduced:	FOS2N3H14C18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	367.146681
ΔH_f, kcal/mol:	10.0
Dipole, Da:	4.93
IP(EA), eV:	-8.43(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[6-phenyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-yl]amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=C(S2)C3=CSC=C3)N=C1NCC4=CC=CC=C4F

DOS

IR

Vibrations