Geometry & MOs

Info

ID:

418256

PubChem CID:

135104018

Reduced:

SO3N4C19H26 (2)

Stoich.:

AB3C4D19E26 (2)

Weight, g/mol:

355.225977

ΔHf, kcal/mol:

-191.29

Dipole, Da:

8.02

IP(EA), eV:

 -8.25(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)CC3=CN=C(C=C3)OC)CC4=CC=CC=C4)CCSC

DOS

IR

Vibrations