Geometry & MOs

Info

ID:

168656

PubChem CID:

74999571

Reduced:

O2N5H13C21 (1)

Stoich.:

A2B5C13D21 (1)

Weight, g/mol:

1318.593712

ΔHf, kcal/mol:

100.16

Dipole, Da:

3.11

IP(EA), eV:

 -8.6(-2.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[3-[2-[2-[[2-[3-[1-[1-[2-(1,3-benzodioxol-5-yl)butanoyl]piperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] 1-[2-(1,3-benzodioxol-5-yl)butanoyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)N5C(=O)N=NC5=O

DOS

IR

Vibrations