Geometry & MOs

Info

ID:

418060

PubChem CID:

135103446

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

425.134403

ΔHf, kcal/mol:

-182.3

Dipole, Da:

10.14

IP(EA), eV:

 -9.21(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,4R)-N-ethyl-7-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)[C@H]2CC3=CC=CC=C3CN2)CC4=CC=CC=C4)C)C(C)C

DOS

IR

Vibrations