Geometry & MOs

Info

ID:

441312

PubChem CID:

135234088

Reduced:

O2S2N10C23H26 (1)

Stoich.:

A2B2C10D23E26 (1)

Weight, g/mol:

474.173248

ΔHf, kcal/mol:

107.39

Dipole, Da:

3.9

IP(EA), eV:

 -8.74(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(1S,3S)-3-[5-[2-[(Z)-aminomethylideneamino]propan-2-ylamino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CN1C(=CC=CN1)CC(=O)NC2=NN=C(S2)[C@H]3CCC[C@@H](C3)C4=NN=C(S4)NC(=O)CC5=NN=CC=C5

DOS

IR

Vibrations