Geometry & MOs

Info

ID:

188288

PubChem CID:

77694012

Reduced:

ClN4O7C35H47 (1)

Stoich.:

AB4C7D35E47 (1)

Weight, g/mol:

634.33665

ΔHf, kcal/mol:

-327.67

Dipole, Da:

6.34

IP(EA), eV:

 -8.83(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[1-butyl-3-[cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]benzoyl]amino]-5-methoxybenzoic acid

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)OC)C(=O)O)C(C5CCCCC5)O.Cl

DOS

IR

Vibrations