Geometry & MOs

Info

ID:

320396

PubChem CID:

126660194

Reduced:

N2S2O4H14C19 (1)

Stoich.:

A2B2C4D14E19 (1)

Weight, g/mol:

473.306057

ΔHf, kcal/mol:

29.27

Dipole, Da:

4.62

IP(EA), eV:

 -9.03(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z,5R,7S,10S,11S,14S,15S,23R,24S)-9-(2-chloroethyl)-2,7,11,23-tetramethyl-4-oxa-9-azapentacyclo[12.11.0.05,10.015,24.018,23]pentacosa-1,18-dien-20-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)N=O)N2C(=O)/C(=C/C=C/C3=CC=CO3)/SC2=S

DOS

IR

Vibrations