Geometry & MOs

Info

ID:	33325
PubChem CID:	7885974
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	410.087118
ΔH_f, kcal/mol:	1.21
Dipole, Da:	2.73
IP(EA), eV:	-8.74(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanophenyl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations