Geometry & MOs

Info

ID:	129866
PubChem CID:	51074091
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	346.055818
ΔH_f, kcal/mol:	27.69
Dipole, Da:	7.6
IP(EA), eV:	-9.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylmethoxyacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CCNC(=O)CN2C=NN=C2C#N)C)C(C)(C)C

DOS

IR

Vibrations