Geometry & MOs

Info

ID:	135476
PubChem CID:	51877677
Reduced:	SO3N5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	390.118418
ΔH_f, kcal/mol:	-104.5
Dipole, Da:	5.26
IP(EA), eV:	-9.12(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)N[C@H]3CCCC4=CC=CC=C34)C(=O)N(C1=O)C

DOS

IR

Vibrations