Geometry & MOs

Info

ID:	33371
PubChem CID:	7886104
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	399.107519
ΔH_f, kcal/mol:	-25.61
Dipole, Da:	5.06
IP(EA), eV:	-8.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations