Geometry & MOs

Info

ID:	309665
PubChem CID:	126553143
Reduced:	ClO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	741.07879
ΔH_f, kcal/mol:	-56.46
Dipole, Da:	4.68
IP(EA), eV:	-8.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-1,2,4-triazol-3-yl]-[(1S,2R)-1-hydroxy-1-(2-methoxyphenyl)propan-2-yl]sulfonylamino]ethyl thiohypoiodite

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

C1C[C@H](OC1)C(=O)N[C@H]2CC[C@H](C2)C3=C4C=C(C=CC4=NN3)Cl

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

C1C[C@H](OC1)C(=O)N[C@H]2CC[C@H](C2)C3=C4C=C(C=CC4=NN3)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):