Geometry & MOs

Info

ID:

424818

PubChem CID:

135124058

Reduced:

SO3N4C17H20 (2)

Stoich.:

AB3C4D17E20 (2)

Weight, g/mol:

537.27399

ΔHf, kcal/mol:

-100.61

Dipole, Da:

7.05

IP(EA), eV:

 -8.81(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R,2R)-2-(1-methyltriazol-4-yl)cyclopropyl]-1-[3-[3-[(2R)-2-propylpiperidine-1-carbonyl]phenyl]phenyl]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)[C@H](CC(=O)NC4=CN=C(N=C4)S(=O)(=O)C)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations