Geometry & MOs

Info

ID:	193516
PubChem CID:	78403402
Reduced:	SO2N7H17C20 (1)
Stoich.:	AB2C7D17E20 (1)
Weight, g/mol:	392.222569
ΔH_f, kcal/mol:	133.8
Dipole, Da:	15.21
IP(EA), eV:	-8.88(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-[(7-hydroxy-4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-8-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)C(=C3NC4C=CC=CC4=N3)C#N

DOS

IR

Vibrations