Geometry & MOs

Info

ID:

188287

PubChem CID:

77693441

Reduced:

NO5C30H35 (1)

Stoich.:

AB5C30D35 (1)

Weight, g/mol:

670.313328

ΔHf, kcal/mol:

-166.1

Dipole, Da:

2.96

IP(EA), eV:

 -9.14(-0.16)

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;hydrochloride

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1C(=O)N(C)CC2=CC(=CC=C2)C3=CC=C(C=C3)CC(C(=O)O)OCC

DOS

IR

Vibrations