Geometry & MOs

Info

ID:	440879
PubChem CID:	135231992
Reduced:	O2S2N3H17C20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	440.148455
ΔH_f, kcal/mol:	44.27
Dipole, Da:	4.11
IP(EA), eV:	-8.39(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

CC#CC1=CC2=C(C=C1)SC3=C2C=C4C(=C3)C[C@]45CS(=O)(=O)N(C(=N5)N)C

DOS

IR

Vibrations