Geometry & MOs

Info

ID:	33381
PubChem CID:	7886181
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	417.151098
ΔH_f, kcal/mol:	-49.02
Dipole, Da:	3.14
IP(EA), eV:	-9.09(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations