Geometry & MOs

Info

ID:	440780
PubChem CID:	135231440
Reduced:	OSN5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	540.205019
ΔH_f, kcal/mol:	71.44
Dipole, Da:	7.11
IP(EA), eV:	-8.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[3-[5-(1-fluoro-1-phosphanylethoxy)cyclohepta-1,4,6-trien-1-yl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

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

C1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)NC(=O)NC/C(=C/N)/C=N

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

C1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)NC(=O)NC/C(=C/N)/C=N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):