Geometry & MOs

Info

ID:

449459

PubChem CID:

135298803

Reduced:

S2O9N10C46H60 (1)

Stoich.:

A2B9C10D46E60 (1)

Weight, g/mol:

186.111676

ΔHf, kcal/mol:

-291.03

Dipole, Da:

8.81

IP(EA), eV:

 -8.19(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(piperidine-3-carbonylamino)urea

Drug info:

PubChemData

Smile

C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N)O

DOS

IR

Vibrations