Geometry & MOs

Info

ID:	42793
PubChem CID:	8150008
Reduced:	OSN3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	2.81
IP(EA), eV:	-8.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S)-1-[4-[(2R)-butan-2-yl]anilino]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)NCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations