Geometry & MOs

Info

ID:

299932

PubChem CID:

117958539

Reduced:

O8N10C29H42 (1)

Stoich.:

A8B10C29D42 (1)

Weight, g/mol:

1178.69191

ΔHf, kcal/mol:

-300.34

Dipole, Da:

5.02

IP(EA), eV:

 -8.68(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,9R,16R,19R,22S)-16-[(2S)-2-acetylpyrrolidine-1-carbonyl]-9-[4-(dimethylamino)butyl]-6-(3H-inden-1-ylmethyl)-19-(7-methyl-6-oxo-10-phenyldecyl)-12-(3-pyridin-2-ylpropyl)-4-oxa-1-azabicyclo[20.3.0]pentacosane-2,5,8,11,14,18,21-heptone

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@@H]2CC(=O)NCN2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)NCC=O

DOS

IR

Vibrations