Geometry & MOs

Info

ID:

418181

PubChem CID:

135103776

Reduced:

SO6N10C36H46 (1)

Stoich.:

AB6C10D36E46 (1)

Weight, g/mol:

318.176585

ΔHf, kcal/mol:

-165.55

Dipole, Da:

7.21

IP(EA), eV:

 -8.41(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-9-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CN=CN5C)C

DOS

IR

Vibrations