Geometry & MOs

Info

ID:	441327
PubChem CID:	135234129
Reduced:	S2O3N7C24H25 (1)
Stoich.:	A2B3C7D24E25 (1)
Weight, g/mol:	548.202817
ΔH_f, kcal/mol:	25.14
Dipole, Da:	4.42
IP(EA), eV:	-8.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-N-[2-[(1R,3R)-3-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide

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](C[C@H]1C2=NN=C(S2)NC(=O)C(C3=CC=CC=C3)O)N4NN=C(S4)NC(=O)CC5=CC=CC=C5

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](C[C@H]1C2=NN=C(S2)NC(=O)C(C3=CC=CC=C3)O)N4NN=C(S4)NC(=O)CC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):