Geometry & MOs

Info

ID:

447717

PubChem CID:

135285052

Reduced:

O3N5C30H31 (1)

Stoich.:

A3B5C30D31 (1)

Weight, g/mol:

570.216446

ΔHf, kcal/mol:

9.69

Dipole, Da:

4.46

IP(EA), eV:

 -9.21(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-1-[3-(2,3-dichlorophenyl)-3-pentylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CC1C(=O)N2CCN(C[C@H]2C)C3=NC(=C(C=C3C#N)C4=CC=CC5=C4C=CN=C5)C6CC6

DOS

IR

Vibrations