Geometry & MOs

Info

ID:	133106
PubChem CID:	51477700
Reduced:	O4N5C27H33 (1)
Stoich.:	A4B5C27D33 (1)
Weight, g/mol:	391.138819
ΔH_f, kcal/mol:	-133.78
Dipole, Da:	6.9
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclohexyl-N-methyl-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N[C@H](C)C3=CC4=CC=CC=C4C=C3)N(C(=N2)CO)CCC

DOS

IR

Vibrations