Geometry & MOs

Info

ID:

168882

PubChem CID:

75035727

Reduced:

N4O6C35H44 (1)

Stoich.:

A4B6C35D44 (1)

Weight, g/mol:

502.253983

ΔHf, kcal/mol:

-201.53

Dipole, Da:

4.11

IP(EA), eV:

 -8.71(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-1-[[6-(1-hydroxypropan-2-yl)-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)C(C)CO)C)CN(C)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations