Geometry & MOs

Info

ID:

309579

PubChem CID:

126549397

Reduced:

ClO4N6C27H35 (1)

Stoich.:

AB4C6D27E35 (1)

Weight, g/mol:

672.424419

ΔHf, kcal/mol:

-96.77

Dipole, Da:

3.02

IP(EA), eV:

 -8.89(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[ethyl(methyl)amino]butyl]-N'-[3-[2-[2-[3-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]pentanediamide

Drug info:

PubChemData

Smile

C=CC(=O)NC1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3CCCC(C3)C(=O)NOC(CO)C4CCCC4

DOS

IR

Vibrations