Geometry & MOs

Info

ID:	167396
PubChem CID:	74820164
Reduced:	FN4O4H25C26 (1)
Stoich.:	AB4C4D25E26 (1)
Weight, g/mol:	465.147075
ΔH_f, kcal/mol:	-36.63
Dipole, Da:	9.76
IP(EA), eV:	-8.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(1,3-thiazol-2-yl)spiro[5H-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine-6,1'-cyclopropane]-3-yl]methanol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3C4=NOC(N4CC5(O3)CC5)(CO)C6=CC=C(C=C6)F)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3C4=NOC(N4CC5(O3)CC5)(CO)C6=CC=C(C=C6)F)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):