Geometry & MOs

Info

ID:	34021
PubChem CID:	7889457
Reduced:	FOS2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	361.071883
ΔH_f, kcal/mol:	-17.6
Dipole, Da:	3.65
IP(EA), eV:	-9.27(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations