Geometry & MOs

Info

ID:	139557
PubChem CID:	52557537
Reduced:	FS2N3O5H14C16 (1)
Stoich.:	AB2C3D5E14F16 (1)
Weight, g/mol:	428.134068
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	2.81
IP(EA), eV:	-9.56(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)[C@@H](C)OC(=O)C3=CSC(=C3)S(=O)(=O)N)F

DOS

IR

Vibrations