Geometry & MOs

Info

ID:

163442

PubChem CID:

57957800

Reduced:

N2O3H26C29 (1)

Stoich.:

A2B3C26D29 (1)

Weight, g/mol:

652.14275

ΔHf, kcal/mol:

-19.06

Dipole, Da:

4.13

IP(EA), eV:

 -7.91(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S,4S,6R)-2-benzyl-4-[(5-bromopyrimidin-2-yl)-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]amino]-6-ethylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN2CCC(C3=C2C(=CC(=C3)NC(=O)OC4=COC=C4)C1C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations