Geometry & MOs

Info

ID:	133107
PubChem CID:	51477773
Reduced:	O2S2N3C19H25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	352.066383
ΔH_f, kcal/mol:	-48.22
Dipole, Da:	5.68
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1CCCCC1)SC2=NC3=C(C=CS3)C(=O)N2CC=C

DOS

IR

Vibrations