Geometry & MOs

Info

ID:	33862
PubChem CID:	7888484
Reduced:	O2S2N3H15C21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	395.076219
ΔH_f, kcal/mol:	26.83
Dipole, Da:	1.5
IP(EA), eV:	-8.92(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(furan-2-ylmethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3SCC(=O)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations