Geometry & MOs

Info

ID:

421125

PubChem CID:

135115408

Reduced:

SN7O7C35H45 (1)

Stoich.:

AB7C7D35E45 (1)

Weight, g/mol:

334.152872

ΔHf, kcal/mol:

-248.27

Dipole, Da:

6.06

IP(EA), eV:

 -9.16(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-hydroxy-5-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carbonyl]benzoate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C4=C(OC(=C4)C)C)C)C)C(C)C

DOS

IR

Vibrations