Geometry & MOs

Info

ID:	42196
PubChem CID:	8149293
Reduced:	OSN2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-7.23
Dipole, Da:	3.61
IP(EA), eV:	-8.59(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC(=CC=C4)NC(=O)C

DOS

IR

Vibrations