Geometry & MOs

Info

ID:

437005

PubChem CID:

135213686

Reduced:

N3O3C14H21 (1)

Stoich.:

A3B3C14D21 (1)

Weight, g/mol:

729.408812

ΔHf, kcal/mol:

-111.71

Dipole, Da:

9.16

IP(EA), eV:

 -8.41(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,12S,14R,33R,36S)-20-(3-amino-2-hydroxypropyl)-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=C1C=CC(=O)C=C1)N

DOS

IR

Vibrations