Geometry & MOs

Info

ID:

121890

PubChem CID:

50785619

Reduced:

O3N5C24H33 (1)

Stoich.:

A3B5C24D33 (1)

Weight, g/mol:

485.119147

ΔHf, kcal/mol:

-71.67

Dipole, Da:

2.73

IP(EA), eV:

 -8.43(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[[8-(3-methylbutyl)-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NN=C(C=C3)N4CCOCC4

DOS

IR

Vibrations