Geometry & MOs

Info

ID:

181314

PubChem CID:

76730058

Reduced:

N5O15C58H81 (1)

Stoich.:

A5B15C58D81 (1)

Weight, g/mol:

637.269879

ΔHf, kcal/mol:

-497.3

Dipole, Da:

24.93

IP(EA), eV:

 -5.76(-2.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[2-(3,5-dichlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCC(=O)OCOC(=O)NCC(=O)OCCCCC(=O)OC1C(C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C(C2=O)C(=C(C6=C5C(=O)C(O6)(OC=C(C(C(C(C(C(C1C)O)C)C)C)C)C)C)C)O)C)C

DOS

IR

Vibrations