Geometry & MOs

Info

ID:	33849
PubChem CID:	7888444
Reduced:	OS2F3N3H12C16 (1)
Stoich.:	AB2C3D3E12F16 (1)
Weight, g/mol:	411.053376
ΔH_f, kcal/mol:	-123.17
Dipole, Da:	5.07
IP(EA), eV:	-9.24(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(1S)-1-thiophen-2-ylethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3SCC(=O)NCC(F)(F)F

DOS

IR

Vibrations