Geometry & MOs

Info

ID:	133631
PubChem CID:	51566132
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	351.107519
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	3.4
IP(EA), eV:	-8.58(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

DOS

IR

Vibrations