Geometry & MOs

Info

ID:

160972

PubChem CID:

57390403

Reduced:

O2F3N7C24H28 (1)

Stoich.:

A2B3C7D24E28 (1)

Weight, g/mol:

545.236222

ΔHf, kcal/mol:

-109.68

Dipole, Da:

11.62

IP(EA), eV:

 -9.13(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3R,4S)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-3-oxopropyl]acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CC[C@@H]([C@@H](C1)C2=CC=CC=C2)NCC3=C(C=CC(=C3)N4C(=NN=N4)C(F)(F)F)OC

DOS

IR

Vibrations