Geometry & MOs

Info

ID:	34006
PubChem CID:	7889376
Reduced:	FOS2N3H12C15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	378.025661
ΔH_f, kcal/mol:	-8.35
Dipole, Da:	3.62
IP(EA), eV:	-9.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-fluoro-3-nitrophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)F)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations