Geometry & MOs

Info

ID:

427034

PubChem CID:

135155151

Reduced:

O4N7C22H23 (1)

Stoich.:

A4B7C22D23 (1)

Weight, g/mol:

681.169875

ΔHf, kcal/mol:

0.24

Dipole, Da:

3.22

IP(EA), eV:

 -9.23(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R)-3-(4-aminopiperidin-1-yl)-1-(4-chlorophenyl)-1,1-difluoro-3-oxopropan-2-yl]-[4-(cyclohexylmethoxy)phenyl]sulfonylamino] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC=C2)NC(C)C3=NC=C(C=N3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations