Geometry & MOs

Info

ID:	167397
PubChem CID:	74820165
Reduced:	SO4N5C23H23 (1)
Stoich.:	AB4C5D23E23 (1)
Weight, g/mol:	605.184125
ΔH_f, kcal/mol:	26.17
Dipole, Da:	8.99
IP(EA), eV:	-8.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-chloro-4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazin-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=NC=CS6)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=NC=CS6)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):