Geometry & MOs

Info

ID:	30117
PubChem CID:	840025
Reduced:	SN2O4C10H14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-161.96
Dipole, Da:	3.84
IP(EA), eV:	-8.44(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-5-amino-7-(2-tert-butylphenyl)-2-methoxy-1,7-dihydropyrano[2,3-d]imidazole-6-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C(=O)OCC)N)N

DOS

IR

Vibrations